1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid

C13H10ClNO3 — CID 107638921

IUPAC1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(-n2cc(C(=O)O)ccc2=O)c1
InChIInChI=1S/C13H10ClNO3/c1-8-2-4-10(14)11(6-8)15-7-9(13(17)18)3-5-12(15)16/h2-7H,1H3,(H,17,18)
InChIKeyMLVNGCPSFDDYQC-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.50
Rot. Bonds2

About 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid

1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 107638921) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid
PubChem CID107638921
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid
SMILESCc1ccc(Cl)c(-n2cc(C(=O)O)ccc2=O)c1
InChIInChI=1S/C13H10ClNO3/c1-8-2-4-10(14)11(6-8)15-7-9(13(17)18)3-5-12(15)16/h2-7H,1H3,(H,17,18)
InChIKeyMLVNGCPSFDDYQC-UHFFFAOYSA-N
XLogP2.50
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-5-methylphenyl)-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-bromo-4-chlorophenyl)-6-oxopyridine-3-carboxylic acid
CID 81275690
1-(4-chloro-3-methoxyphenyl)-6-oxopyridine-3-carboxylic acid
CID 107622967
4-chloro-3-(2-chloro-4-methylphenyl)benzoic acid
CID 53226634
4-chloro-3-(4-methylpyrazol-1-yl)benzoic acid
CID 84699686
1-(2-chloro-5-methylphenyl)-4-methylpyrazole-3-carboxylic acid
CID 107626269
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
1-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-6-oxopyridine-3-carboxylic acid
CID 82108213
4-chloro-3-(2-fluoro-5-methylphenyl)benzoic acid
CID 53225503
1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
CID 107464583
4-(2-chloro-4-methylphenyl)-3-fluorobenzoic acid
CID 53226619
5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 13157207
4-chloro-3-(5-propan-2-ylimidazol-1-yl)benzoic acid
CID 82514343

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid (CID 107638921) is 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid is Cc1ccc(Cl)c(-n2cc(C(=O)O)ccc2=O)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is MLVNGCPSFDDYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-8-2-4-10(14)11(6-8)15-7-9(13(17)18)3-5-12(15)16/h2-7H,1H3,(H,17,18).
What are the key properties of 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid?
1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 107638921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).