6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one

C12H10FNOS — CID 131860859

IUPAC6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(-c2ccc(F)cc2)[nH]c(=O)c1
InChIInChI=1S/C12H10FNOS/c1-16-10-6-11(14-12(15)7-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,14,15)
InChIKeyZAKREUQHORLHNB-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.90
Rot. Bonds2

About 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one

6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one (PubChem CID 131860859) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one
PubChem CID131860859
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(-c2ccc(F)cc2)[nH]c(=O)c1
InChIInChI=1S/C12H10FNOS/c1-16-10-6-11(14-12(15)7-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,14,15)
InChIKeyZAKREUQHORLHNB-UHFFFAOYSA-N
XLogP2.90
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one (CID 131860859) is 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one is CSc1cc(-c2ccc(F)cc2)[nH]c(=O)c1.
What is the InChIKey of 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is ZAKREUQHORLHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-16-10-6-11(14-12(15)7-10)8-2-4-9(13)5-3-8/h2-7H,1H3,(H,14,15).
What are the key properties of 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one?
6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 235.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 131860859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).