1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one

C14H11F2NO2 — CID 63172566

IUPAC1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(=O)c2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C14H11F2NO2/c1-9-3-2-6-17(14(9)19)8-13(18)10-4-5-11(15)12(16)7-10/h2-7H,8H2,1H3
InChIKeyJGZAPCIRPQTZBE-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.32
Rot. Bonds3

About 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one

1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one (PubChem CID 63172566) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
PubChem CID63172566
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cccn(CC(=O)c2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C14H11F2NO2/c1-9-3-2-6-17(14(9)19)8-13(18)10-4-5-11(15)12(16)7-10/h2-7H,8H2,1H3
InChIKeyJGZAPCIRPQTZBE-UHFFFAOYSA-N
XLogP2.32
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-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 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one (CID 63172566) is 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one is Cc1cccn(CC(=O)c2ccc(F)c(F)c2)c1=O.
What is the InChIKey of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The InChIKey is JGZAPCIRPQTZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-9-3-2-6-17(14(9)19)8-13(18)10-4-5-11(15)12(16)7-10/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one has a molecular weight of 263.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63172566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).