4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid

C13H8Br2N2O3 — CID 107517024

IUPAC4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C13H8Br2N2O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyCPZOYDYIGDWRAK-UHFFFAOYSA-N
MW400.03 g/mol
LogP3.56
Rot. Bonds3

About 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid

4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid (PubChem CID 107517024) has the molecular formula C13H8Br2N2O3 and a molecular weight of 400.03 g/mol. Its IUPAC name is 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
PubChem CID107517024
Molecular FormulaC13H8Br2N2O3
Molecular Weight400.03 g/mol
Exact Mass397.89
IUPAC Name4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)cc1NC(=O)c1ncccc1Br
InChIInChI=1S/C13H8Br2N2O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyCPZOYDYIGDWRAK-UHFFFAOYSA-N
XLogP3.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.03
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62338930
3-bromo-N-(5-bromo-2-methoxyphenyl)pyridine-2-carboxamide
CID 107517604
3-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107517256
N-(2,5-dibromophenyl)-3-hydroxypyridine-2-carboxamide
CID 54955142
4-[(3-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 107517066
2-[(5-bromo-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107797195
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
3-[(3-bromopyridine-2-carbonyl)amino]pyrazine-2-carboxylic acid
CID 107517103
N-(5-bromo-2-fluorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861387
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-bromobenzoic acid
CID 62686543
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid (CID 107517024) is 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(Br)cc1NC(=O)c1ncccc1Br.
What is the InChIKey of 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is CPZOYDYIGDWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid?
4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 400.03 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-bromopyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107517024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).