2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid

C13H9ClN2O4 — CID 66463779

IUPAC2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccncc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-10-6-15-4-3-8(10)12(18)16-11-2-1-7(17)5-9(11)13(19)20/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyLIUWHMZRZOUFGS-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.39
Rot. Bonds3

About 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid

2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid (PubChem CID 66463779) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
PubChem CID66463779
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
SMILESO=C(Nc1ccc(O)cc1C(=O)O)c1ccncc1Cl
InChIInChI=1S/C13H9ClN2O4/c14-10-6-15-4-3-8(10)12(18)16-11-2-1-7(17)5-9(11)13(19)20/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyLIUWHMZRZOUFGS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_F(2)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
CID 66464767
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-iodobenzoic acid
CID 106500272
N-(3-amino-4-pyridinyl)-2-chloro-5-hydroxybenzamide
CID 106500113
2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
CID 81445870
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
2-[(4-chloro-2-hydroxybenzoyl)amino]-5-hydroxybenzoic acid
CID 61405727
2-chloro-5-hydroxy-N-pyridin-3-ylbenzamide
CID 106501191
3-chloro-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 66462058
N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid (CID 66463779) is 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid is O=C(Nc1ccc(O)cc1C(=O)O)c1ccncc1Cl.
What is the InChIKey of 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid?
The InChIKey is LIUWHMZRZOUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-10-6-15-4-3-8(10)12(18)16-11-2-1-7(17)5-9(11)13(19)20/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid?
2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic 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 2-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 66463779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).