2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid

C13H8BrClN2O3 — CID 115295635

IUPAC2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)c(C(=O)O)c1)c1cc(Cl)ccn1
InChIInChI=1S/C13H8BrClN2O3/c14-10-2-1-8(6-9(10)13(19)20)17-12(18)11-5-7(15)3-4-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyYZBDNRJVMSQBHP-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.45
Rot. Bonds3

About 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid

2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 115295635) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
PubChem CID115295635
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)c(C(=O)O)c1)c1cc(Cl)ccn1
InChIInChI=1S/C13H8BrClN2O3/c14-10-2-1-8(6-9(10)13(19)20)17-12(18)11-5-7(15)3-4-16-11/h1-6H,(H,17,18)(H,19,20)
InChIKeyYZBDNRJVMSQBHP-UHFFFAOYSA-N
XLogP3.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.58
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
N-(3-carbamoyl-4-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 60748722
4-chloro-N-quinoxalin-6-ylpyridine-2-carboxamide
CID 47254903
2-bromo-5-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 115295735
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
N-(5-bromo-2-pyridinyl)-4-chloropyridine-2-carboxamide
CID 43111935
(4-chloropyridine-2-carbonyl)carbamic acid
CID 174620541
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 9455833
2-bromo-5-(2-methylpropanoylamino)benzoic acid
CID 115295746

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid (CID 115295635) is 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid is O=C(Nc1ccc(Br)c(C(=O)O)c1)c1cc(Cl)ccn1.
What is the InChIKey of 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is YZBDNRJVMSQBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-10-2-1-8(6-9(10)13(19)20)17-12(18)11-5-7(15)3-4-16-11/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid?
2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 355.58 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115295635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).