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

C13H9BrN2O4 — CID 107516941

IUPAC5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ncccc2Br)ccc1O
InChIInChI=1S/C13H9BrN2O4/c14-9-2-1-5-15-11(9)12(18)16-7-3-4-10(17)8(6-7)13(19)20/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyZPBCJUOLXSFTON-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.50
Rot. Bonds3

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

5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 107516941) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID107516941
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ncccc2Br)ccc1O
InChIInChI=1S/C13H9BrN2O4/c14-9-2-1-5-15-11(9)12(18)16-7-3-4-10(17)8(6-7)13(19)20/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyZPBCJUOLXSFTON-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107517256
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
CID 107517024
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028
3-bromo-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 107519556
N-(3-amino-4-ethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516882
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103
3-bromo-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-2-carboxamide
CID 107519997
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid (CID 107516941) is 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is O=C(O)c1cc(NC(=O)c2ncccc2Br)ccc1O.
What is the InChIKey of 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is ZPBCJUOLXSFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-9-2-1-5-15-11(9)12(18)16-7-3-4-10(17)8(6-7)13(19)20/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid?
5-[(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 5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 107516941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).