5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one

C8H9F3N2OS — CID 116615829

IUPAC5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)15-4-3-13-5-6(12)1-2-7(13)14/h1-2,5H,3-4,12H2
InChIKeyIWQVBFTZAGTWKO-UHFFFAOYSA-N
MW238.23 g/mol
LogP1.68
Rot. Bonds3

About 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one

5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one (PubChem CID 116615829) has the molecular formula C8H9F3N2OS and a molecular weight of 238.23 g/mol. Its IUPAC name is 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
PubChem CID116615829
Molecular FormulaC8H9F3N2OS
Molecular Weight238.23 g/mol
Exact Mass238.04
IUPAC Name5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCSC(F)(F)F)c1
InChIInChI=1S/C8H9F3N2OS/c9-8(10,11)15-4-3-13-5-6(12)1-2-7(13)14/h1-2,5H,3-4,12H2
InChIKeyIWQVBFTZAGTWKO-UHFFFAOYSA-N
XLogP1.68
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one (CID 116615829) is 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCSC(F)(F)F)c1.
What is the InChIKey of 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
The InChIKey is IWQVBFTZAGTWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2OS/c9-8(10,11)15-4-3-13-5-6(12)1-2-7(13)14/h1-2,5H,3-4,12H2.
What are the key properties of 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one?
5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one has a molecular weight of 238.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-one is sourced from PubChem (CID 116615829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).