2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid

C13H9BrN2O4 — CID 115295735

IUPAC2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ncccc2O)ccc1Br
InChIInChI=1S/C13H9BrN2O4/c14-9-4-3-7(6-8(9)13(19)20)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyHYDTULOHAQCISO-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.50
Rot. Bonds3

About 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid

2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid (PubChem CID 115295735) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
PubChem CID115295735
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ncccc2O)ccc1Br
InChIInChI=1S/C13H9BrN2O4/c14-9-4-3-7(6-8(9)13(19)20)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20)
InChIKeyHYDTULOHAQCISO-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

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Related Compounds

5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
2-[(4-bromo-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 82859559
2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
CID 115295635
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
N-(2,5-dibromophenyl)-3-hydroxypyridine-2-carboxamide
CID 54955142
2-bromo-5-[(2-hydroxy-5-methylbenzoyl)amino]benzoic acid
CID 115295861
2-[(3,4-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154756
2-bromo-5-[(2-hydroxy-3-methylbenzoyl)amino]benzoic acid
CID 115295582
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid (CID 115295735) is 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1cc(NC(=O)c2ncccc2O)ccc1Br.
What is the InChIKey of 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is HYDTULOHAQCISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-9-4-3-7(6-8(9)13(19)20)16-12(18)11-10(17)2-1-5-15-11/h1-6,17H,(H,16,18)(H,19,20).
What are the key properties of 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid?
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic 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 2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115295735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).