5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine

C8H8F3NS — CID 57431079

IUPAC5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
SMILESCSCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H8F3NS/c1-13-5-6-2-3-7(12-4-6)8(9,10)11/h2-4H,5H2,1H3
InChIKeyHPJMACSDUORKRV-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.96
Rot. Bonds2

About 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine

5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine (PubChem CID 57431079) has the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
PubChem CID57431079
Molecular FormulaC8H8F3NS
Molecular Weight207.22 g/mol
Exact Mass207.03
IUPAC Name5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine
SMILESCSCc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H8F3NS/c1-13-5-6-2-3-7(12-4-6)8(9,10)11/h2-4H,5H2,1H3
InChIKeyHPJMACSDUORKRV-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine (CID 57431079) is 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine is CSCc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is HPJMACSDUORKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NS/c1-13-5-6-2-3-7(12-4-6)8(9,10)11/h2-4H,5H2,1H3.
What are the key properties of 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine?
5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 207.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 57431079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).