4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid

C13H9ClN2O4 — CID 62239052

IUPAC4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1cccc(Cl)n1
InChIInChI=1S/C13H9ClN2O4/c14-11-3-1-2-9(16-11)12(18)15-7-4-5-8(13(19)20)10(17)6-7/h1-6,17H,(H,15,18)(H,19,20)
InChIKeyLDQMYZIVRMYGAL-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.39
Rot. Bonds3

About 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid

4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 62239052) has the molecular formula C13H9ClN2O4 and a molecular weight of 292.68 g/mol. Its IUPAC name is 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID62239052
Molecular FormulaC13H9ClN2O4
Molecular Weight292.68 g/mol
Exact Mass292.03
IUPAC Name4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(O)c1)c1cccc(Cl)n1
InChIInChI=1S/C13H9ClN2O4/c14-11-3-1-2-9(16-11)12(18)15-7-4-5-8(13(19)20)10(17)6-7/h1-6,17H,(H,15,18)(H,19,20)
InChIKeyLDQMYZIVRMYGAL-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 62239052) is 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is O=C(Nc1ccc(C(=O)O)c(O)c1)c1cccc(Cl)n1.
What is the InChIKey of 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is LDQMYZIVRMYGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4/c14-11-3-1-2-9(16-11)12(18)15-7-4-5-8(13(19)20)10(17)6-7/h1-6,17H,(H,15,18)(H,19,20).
What are the key properties of 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(6-chloropyridine-2-carbonyl)amino]-2-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 4-[(6-chloropyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 62239052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).