4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid

C13H9ClN2O4 — CID 60923710

IUPAC4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1ncccc1O
InChIInChI=1S/C13H9ClN2O4/c14-7-3-4-8(13(19)20)9(6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyGFQLYFBQDZRKLL-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid

4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid (PubChem CID 60923710) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
PubChem CID60923710
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1ncccc1O
InChIInChI=1S/C13H9ClN2O4/c14-7-3-4-8(13(19)20)9(6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyGFQLYFBQDZRKLL-UHFFFAOYSA-N
XLogP2.39
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614768
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
(4-chloro-2-hydroxyphenyl)-(3-hydroxy-2-pyridinyl)methanone
CID 10682094
N-(4-chloro-2-pyridinyl)-3-hydroxypyridine-2-carboxamide
CID 104820977
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430
4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 63189731
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid (CID 60923710) is 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(Cl)cc1NC(=O)c1ncccc1O.
What is the InChIKey of 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is GFQLYFBQDZRKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-7-3-4-8(13(19)20)9(6-7)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 292.68 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 60923710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).