4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one

C7H8FNOS — CID 172614308

IUPAC4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one
SMILESCc1c(F)c(S)cn(C)c1=O
InChIInChI=1S/C7H8FNOS/c1-4-6(8)5(11)3-9(2)7(4)10/h3,11H,1-2H3
InChIKeyWJGXCLDYKUDLPK-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.12
Rot. Bonds

About 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one

4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one (PubChem CID 172614308) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one
PubChem CID172614308
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one
SMILESCc1c(F)c(S)cn(C)c1=O
InChIInChI=1S/C7H8FNOS/c1-4-6(8)5(11)3-9(2)7(4)10/h3,11H,1-2H3
InChIKeyWJGXCLDYKUDLPK-UHFFFAOYSA-N
XLogP1.12
TPSA22.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one?
The IUPAC name of 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one (CID 172614308) is 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one.
What is the SMILES notation for 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one?
The canonical SMILES for 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one is Cc1c(F)c(S)cn(C)c1=O.
What is the InChIKey of 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one?
The InChIKey is WJGXCLDYKUDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-4-6(8)5(11)3-9(2)7(4)10/h3,11H,1-2H3.
What are the key properties of 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one?
4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one has a molecular weight of 173.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dimethyl-5-sulfanylpyridin-2-one is sourced from PubChem (CID 172614308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).