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

C13H8Br2N2O3 — CID 115295703

IUPAC2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)c(C(=O)O)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H8Br2N2O3/c14-7-1-4-11(16-6-7)12(18)17-8-2-3-10(15)9(5-8)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyVQUKNXDLBRQQBM-UHFFFAOYSA-N
MW400.03 g/mol
LogP3.56
Rot. Bonds3

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

2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid (PubChem CID 115295703) has the molecular formula C13H8Br2N2O3 and a molecular weight of 400.03 g/mol. Its IUPAC name is 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
PubChem CID115295703
Molecular FormulaC13H8Br2N2O3
Molecular Weight400.03 g/mol
Exact Mass397.89
IUPAC Name2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)c(C(=O)O)c1)c1ccc(Br)cn1
InChIInChI=1S/C13H8Br2N2O3/c14-7-1-4-11(16-6-7)12(18)17-8-2-3-10(15)9(5-8)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyVQUKNXDLBRQQBM-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-[(5-bromopyridine-2-carbonyl)amino]-2-methylbenzoic acid
CID 62960045
2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
CID 115295635
3,5-dibromo-2-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 63111791
5-bromo-N-(3-bromo-4-methoxyphenyl)pyridine-2-carboxamide
CID 63999815
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
N-(3-amino-4-methylphenyl)-5-bromopyridine-2-carboxamide
CID 62958589
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
N-(2H-benzotriazol-5-yl)-5-bromopyridine-2-carboxamide
CID 75513025
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
CID 55152694
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid (CID 115295703) is 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid is O=C(Nc1ccc(Br)c(C(=O)O)c1)c1ccc(Br)cn1.
What is the InChIKey of 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is VQUKNXDLBRQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2N2O3/c14-7-1-4-11(16-6-7)12(18)17-8-2-3-10(15)9(5-8)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid?
2-bromo-5-[(5-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 2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115295703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).