4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid

C13H10ClNO2 — CID 12784962

IUPAC4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccccc1-c1cc(Cl)cc(C(=O)O)n1
InChIInChI=1S/C13H10ClNO2/c1-8-4-2-3-5-10(8)11-6-9(14)7-12(15-11)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyWZAVOXVBEQYLAG-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.41
Rot. Bonds2

About 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid

4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid (PubChem CID 12784962) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid
PubChem CID12784962
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid
SMILESCc1ccccc1-c1cc(Cl)cc(C(=O)O)n1
InChIInChI=1S/C13H10ClNO2/c1-8-4-2-3-5-10(8)11-6-9(14)7-12(15-11)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyWZAVOXVBEQYLAG-UHFFFAOYSA-N
XLogP3.41
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 63462482
6-chloro-2-(2-methylphenyl)pyrimidine-4-carboxylic acid
CID 82168765
6-chloro-2-(2-methylphenyl)quinoline-4-carboxylic acid;propane
CID 143490047
4-chloro-2-(2-methylphenyl)benzoic acid
CID 53224862
2-methyl-6-(2-methylphenyl)pyridine-3-carboxylic acid
CID 112561990
methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
N-(4-chlorophenyl)-2-(2-methylphenyl)quinoline-4-carboxamide
CID 5069156
2-chloro-6-(2-methylphenyl)pyridin-4-amine
CID 105473401
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid (CID 12784962) is 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid is Cc1ccccc1-c1cc(Cl)cc(C(=O)O)n1.
What is the InChIKey of 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid?
The InChIKey is WZAVOXVBEQYLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-8-4-2-3-5-10(8)11-6-9(14)7-12(15-11)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid?
4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid has a molecular weight of 247.68 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 12784962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).