2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid

C13H9BrN2O3 — CID 805036

IUPAC2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN2O3/c14-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyVUHWWFKVIDQADJ-UHFFFAOYSA-N
MW321.13 g/mol
LogP2.79
Rot. Bonds3

About 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid

2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid (PubChem CID 805036) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
PubChem CID805036
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Name2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cncc(Br)c1
InChIInChI=1S/C13H9BrN2O3/c14-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyVUHWWFKVIDQADJ-UHFFFAOYSA-N
XLogP2.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 46437154
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 47166830
5-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 16545685
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
5-bromo-N-(3-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 9145915
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
5-bromo-N-(2-methylquinolin-8-yl)pyridine-3-carboxamide
CID 62954817
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid (CID 805036) is 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is VUHWWFKVIDQADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c14-9-5-8(6-15-7-9)12(17)16-11-4-2-1-3-10(11)13(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid?
2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 321.13 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 805036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).