1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one

C7H6F3NOS — CID 138629572

IUPAC1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one
SMILESCn1ccc(SC(F)(F)F)cc1=O
InChIInChI=1S/C7H6F3NOS/c1-11-3-2-5(4-6(11)12)13-7(8,9)10/h2-4H,1H3
InChIKeyTUOKIPZSSXNWMO-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.00
Rot. Bonds1

About 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one

1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one (PubChem CID 138629572) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one
PubChem CID138629572
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one
SMILESCn1ccc(SC(F)(F)F)cc1=O
InChIInChI=1S/C7H6F3NOS/c1-11-3-2-5(4-6(11)12)13-7(8,9)10/h2-4H,1H3
InChIKeyTUOKIPZSSXNWMO-UHFFFAOYSA-N
XLogP2.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one?
The IUPAC name of 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one (CID 138629572) is 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one?
The canonical SMILES for 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one is Cn1ccc(SC(F)(F)F)cc1=O.
What is the InChIKey of 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one?
The InChIKey is TUOKIPZSSXNWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-11-3-2-5(4-6(11)12)13-7(8,9)10/h2-4H,1H3.
What are the key properties of 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one?
1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one has a molecular weight of 209.19 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethylsulfanyl)pyridin-2-one is sourced from PubChem (CID 138629572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).