5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

C14H11ClN2O3 — CID 72947279

IUPAC5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2ccc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C14H11ClN2O3/c1-8-3-2-4-12(16-8)17-13(18)10-6-5-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyVJLDBOFFCWJBGO-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid

5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (PubChem CID 72947279) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
PubChem CID72947279
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid
SMILESCc1cccc(NC(=O)c2ccc(Cl)cc2C(=O)O)n1
InChIInChI=1S/C14H11ClN2O3/c1-8-3-2-4-12(16-8)17-13(18)10-6-5-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
InChIKeyVJLDBOFFCWJBGO-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

4-chloro-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81225554
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
6-[(5-chloro-2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 63643423
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154811
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291
6-[(2-chloro-4-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 106860571
4-chloro-N-[(6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 880481
tert-butyl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 90303364
propan-2-yl 4,5-dichloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 90303117
2-acetamido-N-(6-methyl-2-pyridinyl)benzamide
CID 3354177

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The IUPAC name of 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid (CID 72947279) is 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The canonical SMILES for 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is Cc1cccc(NC(=O)c2ccc(Cl)cc2C(=O)O)n1.
What is the InChIKey of 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
The InChIKey is VJLDBOFFCWJBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-3-2-4-12(16-8)17-13(18)10-6-5-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid?
5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic 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 5-chloro-2-[(6-methyl-2-pyridinyl)carbamoyl]benzoic acid is sourced from PubChem (CID 72947279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).