6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid

C13H10ClNO2 — CID 53223511

IUPAC6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)cn2)ccc1Cl
InChIInChI=1S/C13H10ClNO2/c1-8-6-9(2-4-11(8)14)12-5-3-10(7-15-12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNSZWDFFMXVXDMS-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.41
Rot. Bonds2

About 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid

6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid (PubChem CID 53223511) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
PubChem CID53223511
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(C(=O)O)cn2)ccc1Cl
InChIInChI=1S/C13H10ClNO2/c1-8-6-9(2-4-11(8)14)12-5-3-10(7-15-12)13(16)17/h2-7H,1H3,(H,16,17)
InChIKeyNSZWDFFMXVXDMS-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

6-(4-fluoro-3-methylphenyl)pyridine-3-carboxylic acid
CID 52984088
bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt
CID 176549318
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 74888630
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
4-(4-chloro-3-methylphenyl)-3-methylbenzoic acid
CID 53226764
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
6-[5-[3-[6-(4-carboxyphenyl)-3-pyridinyl]-5-[6-(5-carboxy-2-pyridinyl)-3-pyridinyl]phenyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 155051677
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid (CID 53223511) is 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid is Cc1cc(-c2ccc(C(=O)O)cn2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
The InChIKey is NSZWDFFMXVXDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-8-6-9(2-4-11(8)14)12-5-3-10(7-15-12)13(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid?
6-(4-chloro-3-methylphenyl)pyridine-3-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 6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 53223511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).