3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid

C13H9BrN2O4 — CID 107517256

IUPAC3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ncccc2Br)c1O
InChIInChI=1S/C13H9BrN2O4/c14-8-4-2-6-15-10(8)12(18)16-9-5-1-3-7(11(9)17)13(19)20/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyAVYZOQFFQRDDHZ-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.50
Rot. Bonds3

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

3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 107517256) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID107517256
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2ncccc2Br)c1O
InChIInChI=1S/C13H9BrN2O4/c14-8-4-2-6-15-10(8)12(18)16-9-5-1-3-7(11(9)17)13(19)20/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyAVYZOQFFQRDDHZ-UHFFFAOYSA-N
XLogP2.50
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
2-[(2,6-dibromophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107596791
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 107518361
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
N-(4-amino-2-chlorophenyl)-3-bromopyridine-2-carboxamide
CID 107516836
4-[(3-bromopyridine-2-carbonyl)amino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 107517244
3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832839

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 107517256) is 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cccc(NC(=O)c2ncccc2Br)c1O.
What is the InChIKey of 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is AVYZOQFFQRDDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-8-4-2-6-15-10(8)12(18)16-9-5-1-3-7(11(9)17)13(19)20/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 337.13 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 107517256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).