4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

C14H11ClN2O3 — CID 53270772

IUPAC4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C14H11ClN2O3/c1-8-2-3-9(15)6-12(8)17-13(18)10-4-5-16-7-11(10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDXGURJIRGHIFNU-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid

4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53270772) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53270772
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCc1ccc(Cl)cc1NC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C14H11ClN2O3/c1-8-2-3-9(15)6-12(8)17-13(18)10-4-5-16-7-11(10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyDXGURJIRGHIFNU-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

Analyze 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270765
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(5-chloro-2-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068601
5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
N-(5-chloro-2-methylphenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81233865
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53270772) is 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is Cc1ccc(Cl)cc1NC(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is DXGURJIRGHIFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-2-3-9(15)6-12(8)17-13(18)10-4-5-16-7-11(10)14(19)20/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid?
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-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 4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53270772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).