1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one

C13H12FNO2S — CID 82907588

IUPAC1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one
SMILESO=c1ccccn1CCS(=O)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-11-5-1-2-6-12(11)18(17)10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2
InChIKeyJRJMWIRECWXHAK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one

1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one (PubChem CID 82907588) has the molecular formula C13H12FNO2S and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one
PubChem CID82907588
Molecular FormulaC13H12FNO2S
Molecular Weight265.31 g/mol
Exact Mass265.06
IUPAC Name1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one
SMILESO=c1ccccn1CCS(=O)c1ccccc1F
InChIInChI=1S/C13H12FNO2S/c14-11-5-1-2-6-12(11)18(17)10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2
InChIKeyJRJMWIRECWXHAK-UHFFFAOYSA-N
XLogP1.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one (CID 82907588) is 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one is O=c1ccccn1CCS(=O)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one?
The InChIKey is JRJMWIRECWXHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2S/c14-11-5-1-2-6-12(11)18(17)10-9-15-8-4-3-7-13(15)16/h1-8H,9-10H2.
What are the key properties of 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one?
1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)sulfinylethyl]pyridin-2-one is sourced from PubChem (CID 82907588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).