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

C13H9ClN2O4 — CID 9182555

IUPAC3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H9ClN2O4/c14-11-8(2-1-5-15-11)12(18)16-9-6-7(13(19)20)3-4-10(9)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyPCFOKFGLSKYKCX-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.39
Rot. Bonds3

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

3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid (PubChem CID 9182555) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
PubChem CID9182555
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H9ClN2O4/c14-11-8(2-1-5-15-11)12(18)16-9-6-7(13(19)20)3-4-10(9)17/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyPCFOKFGLSKYKCX-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid (CID 9182555) is 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(NC(=O)c2cccnc2Cl)c1.
What is the InChIKey of 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid?
The InChIKey is PCFOKFGLSKYKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-11-8(2-1-5-15-11)12(18)16-9-6-7(13(19)20)3-4-10(9)17/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid?
3-[(2-chloropyridine-3-carbonyl)amino]-4-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 3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 9182555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).