Molecular Weight of 2-Chloro-5-(2-Cyclohexenyl)pyridine (C11H12ClN)
Identification of 2-Chloro-5-(2-Cyclohexenyl)pyridine Chemical Compound
| Chemical Formula | C11H12ClN |
|---|---|
| Molecular Weight | 193.67268 g/mol |
| IUPAC Name | 2-chloro-5-(cyclohex-2-en-1-yl)pyridine |
| SMILES String | Clc1ccc(cn1)C2CCCC=C2 |
| InChI | InChI=1S/C11H12ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2 |
| InChIKey | ZBIYJWIDKQKOSW-UHFFFAOYSA-N |
Molecular Weight Description
The 2-Chloro-5-(2-Cyclohexenyl)pyridine molecule consists of 12 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 1 Chlorine atom(s) - a total of 25 atom(s). The molecular weight of 2-Chloro-5-(2-Cyclohexenyl)pyridine is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:
$$ 193.67268 · \frac{g}{mol} $$
The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.
Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.
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Additional Information for Identifying 2-Chloro-5-(2-Cyclohexenyl)pyridine Molecule
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Structure Data File (SDF/MOL File) of 2-Chloro-5-(2-Cyclohexenyl)pyridine
The structure data file (SDF/MOL File) of 2-Chloro-5-(2-Cyclohexenyl)pyridine is available for download in the SDF page of 2-Chloro-5-(2-Cyclohexenyl)pyridine, which provides the information on atoms, bonds, connectivity and coordinates of 2-Chloro-5-(2-Cyclohexenyl)pyridine. The 2-Chloro-5-(2-Cyclohexenyl)pyridine structure data file can be imported to most of the chemistry-related software, providing three-dimensional visualization and further analysis.
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Chemical structure of 2-Chloro-5-(2-Cyclohexenyl)pyridine
The molecular structure image of 2-Chloro-5-(2-Cyclohexenyl)pyridine is available in chemical structure page of 2-Chloro-5-(2-Cyclohexenyl)pyridine, which provides the molecular geometry information, i.e., the spatial arrangement of atoms in 2-Chloro-5-(2-Cyclohexenyl)pyridine and the chemical bonds that hold the atoms together.
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Chemical formula of 2-Chloro-5-(2-Cyclohexenyl)pyridine
The molecular formula of 2-Chloro-5-(2-Cyclohexenyl)pyridine is given in chemical formula page of 2-Chloro-5-(2-Cyclohexenyl)pyridine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 2-Chloro-5-(2-Cyclohexenyl)pyridine
In addition to the molecular weight information, the structural information of 2-Chloro-5-(2-Cyclohexenyl)pyridine in a textual expression is available via InChi. The full standard InChI of 2-Chloro-5-(2-Cyclohexenyl)pyridine is given below:
InChI=1S/C11H12ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2
It can provide a way to encode the molecular information of 2-Chloro-5-(2-Cyclohexenyl)pyridine to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 2-Chloro-5-(2-Cyclohexenyl)pyridine is:
InChIKey=ZBIYJWIDKQKOSW-UHFFFAOYSA-N
It may allow easier web searches for 2-Chloro-5-(2-Cyclohexenyl)pyridine. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 2-Chloro-5-(2-Cyclohexenyl)pyridine as the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 2-Chloro-5-(2-Cyclohexenyl)pyridine
There may be different names of the 2-Chloro-5-(2-Cyclohexenyl)pyridine compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:
- MFCD13152481
- 1187163-34-3
- 2-Chloro-5-(2-Cyclohexenyl)pyridine
2-Chloro-5-(2-Cyclohexenyl)pyridine Identification Summary Frequently Asked Questions (FAQs)
| What’s the formula of 2-Chloro-5-(2-Cyclohexenyl)pyridine? |
|---|
| C11H12ClN |
| How many atoms and what are the elements in the 2-Chloro-5-(2-Cyclohexenyl)pyridine molecule? |
| 25 atom(s) - 12 Hydrogen atom(s), 11 Carbon atom(s), 1 Nitrogen atom(s), and 1 Chlorine atom(s) |
| How many chemical bonds and what types of bonds are in the 2-Chloro-5-(2-Cyclohexenyl)pyridine structure? |
| 26 bond(s) - 14 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), and 1 Pyridine(s) |
| What’s the molar mass of 2-Chloro-5-(2-Cyclohexenyl)pyridine? |
| 193.67268 g/mol |
| What’s the SMILES format of 2-Chloro-5-(2-Cyclohexenyl)pyridine? |
| Clc1ccc(cn1)C2CCCC=C2 |
| What’s the InChI format of 2-Chloro-5-(2-Cyclohexenyl)pyridine? |
| InChI=1S/C11H12ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2 |
| What’s the InChIKey string of 2-Chloro-5-(2-Cyclohexenyl)pyridine? |
| ZBIYJWIDKQKOSW-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).