5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine

C9H10F3NS — CID 24881119

IUPAC5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine
SMILESCSC(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H10F3NS/c1-6(14-2)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3
InChIKeyNGPCQVZAFDWNQL-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.52
Rot. Bonds2

About 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine

5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine (PubChem CID 24881119) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine
PubChem CID24881119
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine
SMILESCSC(C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H10F3NS/c1-6(14-2)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3
InChIKeyNGPCQVZAFDWNQL-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine (CID 24881119) is 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine is CSC(C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is NGPCQVZAFDWNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-6(14-2)7-3-4-8(13-5-7)9(10,11)12/h3-6H,1-2H3.
What are the key properties of 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine?
5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 221.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfanylethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 24881119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).