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

C13H8BrFN2O3 — CID 107812529

IUPAC4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H8BrFN2O3/c14-9-3-1-7(13(19)20)5-11(9)17-12(18)10-4-2-8(15)6-16-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyKYPKQLSDJHQZDT-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.93
Rot. Bonds3

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

4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 107812529) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
PubChem CID107812529
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Br)c(NC(=O)c2ccc(F)cn2)c1
InChIInChI=1S/C13H8BrFN2O3/c14-9-3-1-7(13(19)20)5-11(9)17-12(18)10-4-2-8(15)6-16-10/h1-6H,(H,17,18)(H,19,20)
InChIKeyKYPKQLSDJHQZDT-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 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic 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

4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
4-bromo-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107812438
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
4-bromo-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 114003870
4-bromo-2-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638178
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
4-bromo-3-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 107812540
N-(3-bromo-4-chlorophenyl)-5-fluoropyridine-2-carboxamide
CID 113411937
4-bromo-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107812550

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid (CID 107812529) is 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is O=C(O)c1ccc(Br)c(NC(=O)c2ccc(F)cn2)c1.
What is the InChIKey of 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is KYPKQLSDJHQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-9-3-1-7(13(19)20)5-11(9)17-12(18)10-4-2-8(15)6-16-10/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid?
4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic 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 4-bromo-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107812529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).