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

C14H11ClN2O3 — CID 66254491

IUPAC6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H11ClN2O3/c1-8-4-2-5-9(15)12(8)17-13(18)10-6-3-7-11(16-10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLHVCOFXLCOFCHA-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

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

6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 66254491) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID66254491
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCc1cccc(Cl)c1NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C14H11ClN2O3/c1-8-4-2-5-9(15)12(8)17-13(18)10-6-3-7-11(16-10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyLHVCOFXLCOFCHA-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2,6-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558422
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-(2-chloro-6-methylphenyl)pyrimidine-4-carboxamide
CID 141229709
6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499397
6-[(2,6-dibromophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 107602474
6-N-(2,6-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100175
2-(2-chloro-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80569393
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099984

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 66254491) is 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is Cc1cccc(Cl)c1NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is LHVCOFXLCOFCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-4-2-5-9(15)12(8)17-13(18)10-6-3-7-11(16-10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid?
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 290.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 66254491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).