2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine

C10H12F3NOS — CID 130388548

IUPAC2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCSC(C)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C10H12F3NOS/c1-7(16-2)8-4-3-5-9(14-8)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyDSJBEBPQUSEXJH-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.45
Rot. Bonds4

About 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine

2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 130388548) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine
PubChem CID130388548
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine
SMILESCSC(C)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C10H12F3NOS/c1-7(16-2)8-4-3-5-9(14-8)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3
InChIKeyDSJBEBPQUSEXJH-UHFFFAOYSA-N
XLogP3.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine (CID 130388548) is 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine is CSC(C)c1cccc(OCC(F)(F)F)n1.
What is the InChIKey of 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is DSJBEBPQUSEXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c1-7(16-2)8-4-3-5-9(14-8)15-6-10(11,12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine?
2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 251.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylethyl)-6-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 130388548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).