4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one

C9H10F3NOS — CID 116622557

IUPAC4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
SMILESCc1ccn(CCSC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H10F3NOS/c1-7-2-3-13(8(14)6-7)4-5-15-9(10,11)12/h2-3,6H,4-5H2,1H3
InChIKeyVOWYXONRUHMLQH-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.41
Rot. Bonds3

About 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one

4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one (PubChem CID 116622557) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
PubChem CID116622557
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
SMILESCc1ccn(CCSC(F)(F)F)c(=O)c1
InChIInChI=1S/C9H10F3NOS/c1-7-2-3-13(8(14)6-7)4-5-15-9(10,11)12/h2-3,6H,4-5H2,1H3
InChIKeyVOWYXONRUHMLQH-UHFFFAOYSA-N
XLogP2.41
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one (CID 116622557) is 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one is Cc1ccn(CCSC(F)(F)F)c(=O)c1.
What is the InChIKey of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The InChIKey is VOWYXONRUHMLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-7-2-3-13(8(14)6-7)4-5-15-9(10,11)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one has a molecular weight of 237.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one is sourced from PubChem (CID 116622557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).