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

C14H12ClNO3 — CID 701003

IUPAC1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(-c2cccc(Cl)c2)c(=O)c1C(=O)O
InChIInChI=1S/C14H12ClNO3/c1-8-6-9(2)16(13(17)12(8)14(18)19)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,18,19)
InChIKeyZJNNSAAHSUDTPN-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.81
Rot. Bonds2

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

1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 701003) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID701003
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(-c2cccc(Cl)c2)c(=O)c1C(=O)O
InChIInChI=1S/C14H12ClNO3/c1-8-6-9(2)16(13(17)12(8)14(18)19)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,18,19)
InChIKeyZJNNSAAHSUDTPN-UHFFFAOYSA-N
XLogP2.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-4,6-dimethyl-2-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 701003) is 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1cc(C)n(-c2cccc(Cl)c2)c(=O)c1C(=O)O.
What is the InChIKey of 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is ZJNNSAAHSUDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8-6-9(2)16(13(17)12(8)14(18)19)11-5-3-4-10(15)7-11/h3-7H,1-2H3,(H,18,19).
What are the key properties of 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 277.71 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 701003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).