5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one

C12H10FNOS — CID 141343286

IUPAC5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one
SMILESCSc1ccc(-c2cc(=O)[nH]cc2F)cc1
InChIInChI=1S/C12H10FNOS/c1-16-9-4-2-8(3-5-9)10-6-12(15)14-7-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyKWODVGOTTPZWBU-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.90
Rot. Bonds2

About 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one

5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one (PubChem CID 141343286) has the molecular formula C12H10FNOS and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one
PubChem CID141343286
Molecular FormulaC12H10FNOS
Molecular Weight235.28 g/mol
Exact Mass235.05
IUPAC Name5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one
SMILESCSc1ccc(-c2cc(=O)[nH]cc2F)cc1
InChIInChI=1S/C12H10FNOS/c1-16-9-4-2-8(3-5-9)10-6-12(15)14-7-11(10)13/h2-7H,1H3,(H,14,15)
InChIKeyKWODVGOTTPZWBU-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

Analyze 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one (CID 141343286) is 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one is CSc1ccc(-c2cc(=O)[nH]cc2F)cc1.
What is the InChIKey of 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one?
The InChIKey is KWODVGOTTPZWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNOS/c1-16-9-4-2-8(3-5-9)10-6-12(15)14-7-11(10)13/h2-7H,1H3,(H,14,15).
What are the key properties of 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one?
5-fluoro-4-(4-methylsulfanylphenyl)-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 5-fluoro-4-(4-methylsulfanylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 141343286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).