4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one

C12H10FNOS — CID 68970078

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one
SMILESO=c1cc(CSc2ccc(F)cc2)cc[nH]1
InChIInChI=1S/C12H10FNOS/c13-10-1-3-11(4-2-10)16-8-9-5-6-14-12(15)7-9/h1-7H,8H2,(H,14,15)
InChIKeyYJWJSMWHBXNJED-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.81
Rot. Bonds3

About 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one

4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one (PubChem CID 68970078) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one
PubChem CID68970078
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one
SMILESO=c1cc(CSc2ccc(F)cc2)cc[nH]1
InChIInChI=1S/C12H10FNOS/c13-10-1-3-11(4-2-10)16-8-9-5-6-14-12(15)7-9/h1-7H,8H2,(H,14,15)
InChIKeyYJWJSMWHBXNJED-UHFFFAOYSA-N
XLogP2.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one (CID 68970078) is 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one is O=c1cc(CSc2ccc(F)cc2)cc[nH]1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one?
The InChIKey is YJWJSMWHBXNJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c13-10-1-3-11(4-2-10)16-8-9-5-6-14-12(15)7-9/h1-7H,8H2,(H,14,15).
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one?
4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-1H-pyridin-2-one is sourced from PubChem (CID 68970078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).