2-methylsulfanyl-5-(trifluoromethyl)pyridine

C7H6F3NS — CID 2780624

IUPAC2-methylsulfanyl-5-(trifluoromethyl)pyridine
SMILESCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NS/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3
InChIKeyONCQHFLFXMBDPS-UHFFFAOYSA-N
MW193.19 g/mol
LogP2.82
Rot. Bonds1

About 2-methylsulfanyl-5-(trifluoromethyl)pyridine

2-methylsulfanyl-5-(trifluoromethyl)pyridine (PubChem CID 2780624) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-methylsulfanyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-5-(trifluoromethyl)pyridine
PubChem CID2780624
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name2-methylsulfanyl-5-(trifluoromethyl)pyridine
SMILESCSc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C7H6F3NS/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3
InChIKeyONCQHFLFXMBDPS-UHFFFAOYSA-N
XLogP2.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-methylsulfanyl-5-(trifluoromethyl)pyridine (CID 2780624) is 2-methylsulfanyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methylsulfanyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methylsulfanyl-5-(trifluoromethyl)pyridine is CSc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-methylsulfanyl-5-(trifluoromethyl)pyridine?
The InChIKey is ONCQHFLFXMBDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c1-12-6-3-2-5(4-11-6)7(8,9)10/h2-4H,1H3.
What are the key properties of 2-methylsulfanyl-5-(trifluoromethyl)pyridine?
2-methylsulfanyl-5-(trifluoromethyl)pyridine has a molecular weight of 193.19 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2780624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).