3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one

C13H11ClFNO — CID 167474378

IUPAC3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(F)cc2Cl)c(C)[nH]1
InChIInChI=1S/C13H11ClFNO/c1-7-5-12(17)13(8(2)16-7)10-4-3-9(15)6-11(10)14/h3-6H,1-2H3,(H,16,17)
InChIKeyGWHZSJUKDBCFHO-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.45
Rot. Bonds1

About 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one

3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 167474378) has the molecular formula C13H11ClFNO and a molecular weight of 251.69 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one
PubChem CID167474378
Molecular FormulaC13H11ClFNO
Molecular Weight251.69 g/mol
Exact Mass251.05
IUPAC Name3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(-c2ccc(F)cc2Cl)c(C)[nH]1
InChIInChI=1S/C13H11ClFNO/c1-7-5-12(17)13(8(2)16-7)10-4-3-9(15)6-11(10)14/h3-6H,1-2H3,(H,16,17)
InChIKeyGWHZSJUKDBCFHO-UHFFFAOYSA-N
XLogP3.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one 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 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one (CID 167474378) is 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c(-c2ccc(F)cc2Cl)c(C)[nH]1.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is GWHZSJUKDBCFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO/c1-7-5-12(17)13(8(2)16-7)10-4-3-9(15)6-11(10)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one?
3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 251.69 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 167474378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).