2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid

C13H8BrFN2O3 — CID 107949182

IUPAC2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrFN2O3/c14-9-6-7(3-4-10(9)15)12(18)17-11-8(13(19)20)2-1-5-16-11/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyNJXAHPCEROAIES-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.93
Rot. Bonds3

About 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid

2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 107949182) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID107949182
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrFN2O3/c14-9-6-7(3-4-10(9)15)12(18)17-11-8(13(19)20)2-1-5-16-11/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyNJXAHPCEROAIES-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 107949162
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
CID 63652531
3-bromo-N-(4-chloro-2-pyridinyl)-4-fluorobenzamide
CID 103707248
2-[(2-fluoro-4-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 107674901
3-bromo-N-(3,5-dibromopyrazin-2-yl)-4-fluorobenzamide
CID 114074325
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408
N-(3-bromo-4-fluorophenyl)quinoline-6-carboxamide
CID 115661425

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid (CID 107949182) is 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid is O=C(Nc1ncccc1C(=O)O)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is NJXAHPCEROAIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-9-6-7(3-4-10(9)15)12(18)17-11-8(13(19)20)2-1-5-16-11/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid?
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 339.12 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 107949182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).