1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one

C14H11F2NO2 — CID 55153497

IUPAC1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)c2c(F)cccc2F)c(=O)c1
InChIInChI=1S/C14H11F2NO2/c1-9-5-6-17(13(19)7-9)8-12(18)14-10(15)3-2-4-11(14)16/h2-7H,8H2,1H3
InChIKeyFOIVJUAISDLONG-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.32
Rot. Bonds3

About 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one

1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one (PubChem CID 55153497) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one
PubChem CID55153497
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one
SMILESCc1ccn(CC(=O)c2c(F)cccc2F)c(=O)c1
InChIInChI=1S/C14H11F2NO2/c1-9-5-6-17(13(19)7-9)8-12(18)14-10(15)3-2-4-11(14)16/h2-7H,8H2,1H3
InChIKeyFOIVJUAISDLONG-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one (CID 55153497) is 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one is Cc1ccn(CC(=O)c2c(F)cccc2F)c(=O)c1.
What is the InChIKey of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one?
The InChIKey is FOIVJUAISDLONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c1-9-5-6-17(13(19)7-9)8-12(18)14-10(15)3-2-4-11(14)16/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one?
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-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-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 55153497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).