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

C13H8BrClN2O3 — CID 66464767

IUPAC5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccncc1Cl
InChIInChI=1S/C13H8BrClN2O3/c14-7-1-2-11(9(5-7)13(19)20)17-12(18)8-3-4-16-6-10(8)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyCFNWLEJRNIYFEH-UHFFFAOYSA-N
MW355.58 g/mol
LogP3.45
Rot. Bonds3

About 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid

5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid (PubChem CID 66464767) has the molecular formula C13H8BrClN2O3 and a molecular weight of 355.58 g/mol. Its IUPAC name is 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
PubChem CID66464767
Molecular FormulaC13H8BrClN2O3
Molecular Weight355.58 g/mol
Exact Mass353.94
IUPAC Name5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1ccncc1Cl
InChIInChI=1S/C13H8BrClN2O3/c14-7-1-2-11(9(5-7)13(19)20)17-12(18)8-3-4-16-6-10(8)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyCFNWLEJRNIYFEH-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-[(3-chloropyridine-4-carbonyl)amino]-5-hydroxybenzoic acid
CID 66463779
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
2-[(4-bromo-2-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 43805401
N-[4-bromo-2-(trifluoromethyl)phenyl]-4-chloropyridine-3-carboxamide
CID 81228966
methyl 2-[(3-chloropyridine-4-carbonyl)amino]-5-methylbenzoate
CID 66484487
N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
N-(2,4-dibromophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442512
4-bromo-2-[(2-chloro-4-methylbenzoyl)amino]benzoic acid
CID 106860507
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
CID 83167499
N-(5-bromo-4-fluoro-2-methylphenyl)-3-chloropyridine-4-carboxamide
CID 103274622

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid (CID 66464767) is 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1ccncc1Cl.
What is the InChIKey of 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is CFNWLEJRNIYFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O3/c14-7-1-2-11(9(5-7)13(19)20)17-12(18)8-3-4-16-6-10(8)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid?
5-bromo-2-[(3-chloropyridine-4-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 5-bromo-2-[(3-chloropyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66464767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).