6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C15H13ClN2O3 — CID 43453081

IUPAC6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2C)ccc1C(=O)O
InChIInChI=1S/C15H13ClN2O3/c1-8-11(16)4-3-5-12(8)18-14(19)13-7-6-10(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOXIZGOCBZKEYHS-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.30
Rot. Bonds3

About 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 43453081) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID43453081
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2C)ccc1C(=O)O
InChIInChI=1S/C15H13ClN2O3/c1-8-11(16)4-3-5-12(8)18-14(19)13-7-6-10(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOXIZGOCBZKEYHS-UHFFFAOYSA-N
XLogP3.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453082
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
6-N-(3-chloro-2-methylphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100060
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
6-[(2-bromo-5-chlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 81280144
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
6-N-(3-chloro-2-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100872

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 43453081) is 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1nc(C(=O)Nc2cccc(Cl)c2C)ccc1C(=O)O.
What is the InChIKey of 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is OXIZGOCBZKEYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-8-11(16)4-3-5-12(8)18-14(19)13-7-6-10(15(20)21)9(2)17-13/h3-7H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 304.73 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 43453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).