5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one

C14H12FNO2S — CID 69076752

IUPAC5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one
SMILESCC(=O)c1c[nH]c(=O)c(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C14H12FNO2S/c1-8-12(9(2)17)7-16-14(18)13(8)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,18)
InChIKeyRAWYSHGIKTYKKU-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.18
Rot. Bonds3

About 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one

5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one (PubChem CID 69076752) has the molecular formula C14H12FNO2S and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one
PubChem CID69076752
Molecular FormulaC14H12FNO2S
Molecular Weight277.32 g/mol
Exact Mass277.06
IUPAC Name5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one
SMILESCC(=O)c1c[nH]c(=O)c(Sc2ccc(F)cc2)c1C
InChIInChI=1S/C14H12FNO2S/c1-8-12(9(2)17)7-16-14(18)13(8)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,18)
InChIKeyRAWYSHGIKTYKKU-UHFFFAOYSA-N
XLogP3.18
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one (CID 69076752) is 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one is CC(=O)c1c[nH]c(=O)c(Sc2ccc(F)cc2)c1C.
What is the InChIKey of 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one?
The InChIKey is RAWYSHGIKTYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2S/c1-8-12(9(2)17)7-16-14(18)13(8)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one?
5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(4-fluorophenyl)sulfanyl-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 69076752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).