4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid

C13H8Cl2N2O4 — CID 60826406

IUPAC4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C13H8Cl2N2O4/c14-8-3-7(5-16-11(8)15)12(19)17-9-2-1-6(13(20)21)4-10(9)18/h1-5,18H,(H,17,19)(H,20,21)
InChIKeyVTTYBKQSKMNTCU-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.04
Rot. Bonds3

About 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid

4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid (PubChem CID 60826406) has the molecular formula C13H8Cl2N2O4 and a molecular weight of 327.12 g/mol. Its IUPAC name is 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
PubChem CID60826406
Molecular FormulaC13H8Cl2N2O4
Molecular Weight327.12 g/mol
Exact Mass325.99
IUPAC Name4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(O)c1
InChIInChI=1S/C13H8Cl2N2O4/c14-8-3-7(5-16-11(8)15)12(19)17-9-2-1-6(13(20)21)4-10(9)18/h1-5,18H,(H,17,19)(H,20,21)
InChIKeyVTTYBKQSKMNTCU-UHFFFAOYSA-N
XLogP3.04
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.04
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 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-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

5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
4-[(2,6-dichlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 60825182
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
4-[(3,5-dichlorobenzoyl)amino]-3-hydroxybenzoic acid;ethane
CID 153343129
4-[(6-chloropyrazine-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 136704058
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
3-hydroxy-4-[(2,3,6-trichlorobenzoyl)amino]benzoic acid
CID 108744147
4-[(4-tert-butylbenzoyl)amino]-3-hydroxybenzoic acid
CID 108744180
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671
4-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
4-[(3-bromo-5-chlorobenzoyl)amino]-3-hydroxybenzoic acid
CID 107937789

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid (CID 60826406) is 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid is O=C(O)c1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(O)c1.
What is the InChIKey of 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
The InChIKey is VTTYBKQSKMNTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O4/c14-8-3-7(5-16-11(8)15)12(19)17-9-2-1-6(13(20)21)4-10(9)18/h1-5,18H,(H,17,19)(H,20,21).
What are the key properties of 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid?
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid has a molecular weight of 327.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid is sourced from PubChem (CID 60826406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).