1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid

C13H10ClNO3 — CID 58306715

IUPAC1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3/c14-10-6-4-9(5-7-10)8-15-11(13(17)18)2-1-3-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyCMHOXFSOQHTFCK-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.25
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid

1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 58306715) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
PubChem CID58306715
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO3/c14-10-6-4-9(5-7-10)8-15-11(13(17)18)2-1-3-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyCMHOXFSOQHTFCK-UHFFFAOYSA-N
XLogP2.25
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid (CID 58306715) is 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid is O=C(O)c1cccc(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is CMHOXFSOQHTFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-6-4-9(5-7-10)8-15-11(13(17)18)2-1-3-12(15)16/h1-7H,8H2,(H,17,18).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 58306715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).