1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid

C12H7BrClNO3 — CID 81275690

IUPAC1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C12H7BrClNO3/c13-9-5-8(14)2-3-10(9)15-6-7(12(17)18)1-4-11(15)16/h1-6H,(H,17,18)
InChIKeyJXEZCVPWEKGROY-UHFFFAOYSA-N
MW328.55 g/mol
LogP2.95
Rot. Bonds2

About 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid

1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 81275690) has the molecular formula C12H7BrClNO3 and a molecular weight of 328.55 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid
PubChem CID81275690
Molecular FormulaC12H7BrClNO3
Molecular Weight328.55 g/mol
Exact Mass326.93
IUPAC Name1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2ccc(Cl)cc2Br)c1
InChIInChI=1S/C12H7BrClNO3/c13-9-5-8(14)2-3-10(9)15-6-7(12(17)18)1-4-11(15)16/h1-6H,(H,17,18)
InChIKeyJXEZCVPWEKGROY-UHFFFAOYSA-N
XLogP2.95
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-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

1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid
CID 107638921
1-(4-bromo-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
CID 82861278
1-(5-bromo-3-pyridinyl)-6-oxopyridine-3-carboxylic acid
CID 178159594
2-bromoterephthalic acid;4-chlorophthalic acid
CID 70572370
2-[1-(2-bromo-4-chlorophenyl)-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81343540
1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
CID 107622967
3-bromo-4-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
CID 79884941
4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid
CID 114606205
4-chloro(13C)benzoic acid
CID 66995527
1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
CID 107464583
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 116818670
2-(2-bromo-4-chlorophenyl)-4,7-dimethylisoindole-1,3-dione
CID 103430565

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid (CID 81275690) is 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(-c2ccc(Cl)cc2Br)c1.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is JXEZCVPWEKGROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO3/c13-9-5-8(14)2-3-10(9)15-6-7(12(17)18)1-4-11(15)16/h1-6H,(H,17,18).
What are the key properties of 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid?
1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 328.55 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 81275690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).