3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid

C14H11ClN2O4 — CID 107264990

IUPAC3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2O)cc(Cl)n1
InChIInChI=1S/C14H11ClN2O4/c1-7-4-9(6-12(15)16-7)13(19)17-10-5-8(14(20)21)2-3-11(10)18/h2-6,18H,1H3,(H,17,19)(H,20,21)
InChIKeyQRYWGFKURHEUNV-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.70
Rot. Bonds3

About 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid

3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid (PubChem CID 107264990) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
PubChem CID107264990
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
SMILESCc1cc(C(=O)Nc2cc(C(=O)O)ccc2O)cc(Cl)n1
InChIInChI=1S/C14H11ClN2O4/c1-7-4-9(6-12(15)16-7)13(19)17-10-5-8(14(20)21)2-3-11(10)18/h2-6,18H,1H3,(H,17,19)(H,20,21)
InChIKeyQRYWGFKURHEUNV-UHFFFAOYSA-N
XLogP2.70
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic 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

3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264829
3-[(3,5-dimethoxybenzoyl)amino]-4-hydroxybenzoic acid
CID 108753869
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 104952423
4-hydroxy-3-(pyrimidine-5-carbonylamino)benzoic acid
CID 107264598
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
N-(2-bromo-3-methylphenyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 113378489
3-[(4-chloropyridine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264628
4-hydroxy-3-[(4-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107670939
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid (CID 107264990) is 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid is Cc1cc(C(=O)Nc2cc(C(=O)O)ccc2O)cc(Cl)n1.
What is the InChIKey of 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid?
The InChIKey is QRYWGFKURHEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-7-4-9(6-12(15)16-7)13(19)17-10-5-8(14(20)21)2-3-11(10)18/h2-6,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid?
3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid has a molecular weight of 306.71 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).