Structure & Deep Data of 3-Amino-4-bromo-6-chloropicolinic acid (C6H4BrClN2O2)

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-Amino-4-bromo-6-chloropicolinic acid molecule contains a total of 16 bond(s). There are 12 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 primary amine(s) (aromatic), 1 hydroxyl group(s), and 1 Pyridine(s). Images of the chemical structure of 3-Amino-4-bromo-6-chloropicolinic acid are given below:

The 2D chemical structure image of 3-Amino-4-bromo-6-chloropicolinic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3-Amino-4-bromo-6-chloropicolinic 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-Amino-4-bromo-6-chloropicolinic 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-Amino-4-bromo-6-chloropicolinic acid. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3-Amino-4-bromo-6-chloropicolinic acid Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3-Amino-4-bromo-6-chloropicolinic acid

  The SMILES string of 3-Amino-4-bromo-6-chloropicolinic acid is Nc1c(Br)cc(Cl)nc1C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3-Amino-4-bromo-6-chloropicolinic acid.

• Structure Data File (SDF/MOL File) of 3-Amino-4-bromo-6-chloropicolinic acid

  The structure data file (SDF/MOL File) of 3-Amino-4-bromo-6-chloropicolinic acid is available for download in the SDF page of 3-Amino-4-bromo-6-chloropicolinic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 3-Amino-4-bromo-6-chloropicolinic acid. The 3-Amino-4-bromo-6-chloropicolinic acid structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3-Amino-4-bromo-6-chloropicolinic acid

  The molecular formula of 3-Amino-4-bromo-6-chloropicolinic acid is available in chemical formula page of 3-Amino-4-bromo-6-chloropicolinic acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3-Amino-4-bromo-6-chloropicolinic acid

  The molecular weight of 3-Amino-4-bromo-6-chloropicolinic acid is available in molecular weight page of 3-Amino-4-bromo-6-chloropicolinic 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.

• Other names (synonyms) or registry numbers of 3-Amino-4-bromo-6-chloropicolinic acid

  The 3-Amino-4-bromo-6-chloropicolinic 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-Amino-4-bromo-6-chloropicolinic acid including the various registry numbers, if available:

  • 3-amino-4-bromo-6-chloro-pyridine-2-carboxylic acid
  • 1073182-90-7
  • 3-Amino-4-bromo-6-chloropicolinic acid

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3-Amino-4-bromo-6-chloropicolinic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3-Amino-4-bromo-6-chloropicolinic acid?
C6H4BrClN2O2
How many atoms and what are the elements included the 3-Amino-4-bromo-6-chloropicolinic acid molecule?
16 atom(s) - 4 Hydrogen atom(s), 6 Carbon atom(s), 2 Nitrogen atom(s), 2 Oxygen atom(s), 1 Chlorine atom(s), and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the 3-Amino-4-bromo-6-chloropicolinic acid structure?
16 bond(s) - 12 non-H bond(s), 7 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 carboxylic acid(s) (aromatic), 1 primary amine(s) (aromatic), 1 hydroxyl group(s), and 1 Pyridine(s)
What’s the 3-Amino-4-bromo-6-chloropicolinic acid’s molecular weight?
251.46516 g/mol
What’s the SMILES code of 3-Amino-4-bromo-6-chloropicolinic acid?
Nc1c(Br)cc(Cl)nc1C(O)=O
What’s the InChI string of 3-Amino-4-bromo-6-chloropicolinic acid?
InChI=1S/C6H4BrClN2O2/c7-2-1-3(8)10-5(4(2)9)6(11)12/h1H,9H2,(H,11,12)
What’s the InChIKey code of 3-Amino-4-bromo-6-chloropicolinic acid?
RWYNVFKAAOCJEF-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).