5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one

C14H11BrFNO2 — CID 83133045

IUPAC5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C14H11BrFNO2/c1-9-6-10(15)7-17(14(9)19)8-13(18)11-4-2-3-5-12(11)16/h2-7H,8H2,1H3
InChIKeyRUKIZTGGVDHUDK-UHFFFAOYSA-N
MW324.15 g/mol
LogP2.94
Rot. Bonds3

About 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one

5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one (PubChem CID 83133045) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
PubChem CID83133045
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cc(Br)cn(CC(=O)c2ccccc2F)c1=O
InChIInChI=1S/C14H11BrFNO2/c1-9-6-10(15)7-17(14(9)19)8-13(18)11-4-2-3-5-12(11)16/h2-7H,8H2,1H3
InChIKeyRUKIZTGGVDHUDK-UHFFFAOYSA-N
XLogP2.94
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-[2-(2-fluorophenyl)-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 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one (CID 83133045) is 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one is Cc1cc(Br)cn(CC(=O)c2ccccc2F)c1=O.
What is the InChIKey of 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
The InChIKey is RUKIZTGGVDHUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c1-9-6-10(15)7-17(14(9)19)8-13(18)11-4-2-3-5-12(11)16/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one?
5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one has a molecular weight of 324.15 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 83133045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).