5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid

C13H9BrN2O4 — CID 45340154

IUPAC5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H9BrN2O4/c14-8-2-3-10(9(5-8)13(19)20)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLUFJKTSSINMOCZ-UHFFFAOYSA-N
MW337.13 g/mol
LogP2.09
Rot. Bonds3

About 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid

5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (PubChem CID 45340154) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
PubChem CID45340154
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H9BrN2O4/c14-8-2-3-10(9(5-8)13(19)20)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyLUFJKTSSINMOCZ-UHFFFAOYSA-N
XLogP2.09
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methoxy-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
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N-(2-bromo-5-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid (CID 45340154) is 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is LUFJKTSSINMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-8-2-3-10(9(5-8)13(19)20)16-12(18)7-1-4-11(17)15-6-7/h1-6H,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid?
5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 337.13 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 45340154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).