Structure & Deep Data of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid (C11H10ClN3O2)
Identification of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid Chemical Compound
| Chemical Formula | C11H10ClN3O2 |
|---|---|
| Molecular Weight | 251.669 g/mol |
| IUPAC Name | 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid |
| SMILES String | Cc1ncn(c1C)c2nccc(C(O)=O)c2Cl |
| InChI | InChI=1S/C11H10ClN3O2/c1-6-7(2)15(5-14-6)10-9(12)8(11(16)17)3-4-13-10/h3-5H,1-2H3,(H,16,17) |
| InChIKey | YPZHQXVPTJCNGW-UHFFFAOYSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid molecule contains a total of 28 bond(s). There are 18 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 hydroxyl group(s), 1 Imidazole(s), and 1 Pyridine(s). Images of the chemical structure of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid are given below:
The 2D chemical structure image of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid is provided here.
The 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid
The SMILES string of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid is Cc1ncn(c1C)c2nccc(C(O)=O)c2Cl, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid.
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Structure Data File (SDF/MOL File) of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid
The structure data file (SDF/MOL File) of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid is available for download in the SDF page of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid. The 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid
The molecular formula of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid is available in chemical formula page of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid
The molecular weight of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid is available in molecular weight page of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid
The 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid including the various registry numbers, if available:
None available.
3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid? |
|---|
| C11H10ClN3O2 |
| How many atoms and what are the elements included the 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid molecule? |
| 27 atom(s) - 10 Hydrogen atom(s), 11 Carbon atom(s), 3 Nitrogen atom(s), 2 Oxygen atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what kind of bonds are included the 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid structure? |
| 28 bond(s) - 18 non-H bond(s), 12 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 hydroxyl group(s), 1 Imidazole(s), and 1 Pyridine(s) |
| What’s the 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid’s molecular weight? |
| 251.669 g/mol |
| What’s the SMILES code of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid? |
| Cc1ncn(c1C)c2nccc(C(O)=O)c2Cl |
| What’s the InChI string of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid? |
| InChI=1S/C11H10ClN3O2/c1-6-7(2)15(5-14-6)10-9(12)8(11(16)17)3-4-13-10/h3-5H,1-2H3,(H,16,17) |
| What’s the InChIKey code of 3-chloro-2-(4,5-dimethyl-1H-imidazol-1-yl)pyridine-4-carboxylic acid? |
| YPZHQXVPTJCNGW-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).