2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine

C8H8F3NS — CID 155585893

IUPAC2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
SMILESCSc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C8H8F3NS/c1-5-6(13-2)3-4-7(12-5)8(9,10)11/h3-4H,1-2H3
InChIKeyFEHIFQHAQAFZLW-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.13
Rot. Bonds1

About 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine

2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine (PubChem CID 155585893) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
PubChem CID155585893
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine
SMILESCSc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C8H8F3NS/c1-5-6(13-2)3-4-7(12-5)8(9,10)11/h3-4H,1-2H3
InChIKeyFEHIFQHAQAFZLW-UHFFFAOYSA-N
XLogP3.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine (CID 155585893) is 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine is CSc1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
The InChIKey is FEHIFQHAQAFZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-5-6(13-2)3-4-7(12-5)8(9,10)11/h3-4H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine?
2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine has a molecular weight of 207.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfanyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 155585893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).