5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one

C7H8FNOS — CID 166971757

IUPAC5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(F)c(C)[nH]c1=O
InChIInChI=1S/C7H8FNOS/c1-4-5(8)3-6(11-2)7(10)9-4/h3H,1-2H3,(H,9,10)
InChIKeyNKZOJURSQLWIOP-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.54
Rot. Bonds1

About 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one

5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one (PubChem CID 166971757) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one
PubChem CID166971757
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one
SMILESCSc1cc(F)c(C)[nH]c1=O
InChIInChI=1S/C7H8FNOS/c1-4-5(8)3-6(11-2)7(10)9-4/h3H,1-2H3,(H,9,10)
InChIKeyNKZOJURSQLWIOP-UHFFFAOYSA-N
XLogP1.54
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one (CID 166971757) is 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one is CSc1cc(F)c(C)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
The InChIKey is NKZOJURSQLWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-4-5(8)3-6(11-2)7(10)9-4/h3H,1-2H3,(H,9,10).
What are the key properties of 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one?
5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one has a molecular weight of 173.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3-methylsulfanyl-1H-pyridin-2-one is sourced from PubChem (CID 166971757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).