2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine

C13H10F3NS — CID 57025375

IUPAC2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine
SMILESFC(F)(F)c1ccc(SCc2ccccn2)cc1
InChIInChI=1S/C13H10F3NS/c14-13(15,16)10-4-6-12(7-5-10)18-9-11-3-1-2-8-17-11/h1-8H,9H2
InChIKeyKEWJICOGMJJPQO-UHFFFAOYSA-N
MW269.29 g/mol
LogP4.39
Rot. Bonds3

About 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine

2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine (PubChem CID 57025375) has the molecular formula C13H10F3NS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine
PubChem CID57025375
Molecular FormulaC13H10F3NS
Molecular Weight269.29 g/mol
Exact Mass269.05
IUPAC Name2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine
SMILESFC(F)(F)c1ccc(SCc2ccccn2)cc1
InChIInChI=1S/C13H10F3NS/c14-13(15,16)10-4-6-12(7-5-10)18-9-11-3-1-2-8-17-11/h1-8H,9H2
InChIKeyKEWJICOGMJJPQO-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine (CID 57025375) is 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine is FC(F)(F)c1ccc(SCc2ccccn2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine?
The InChIKey is KEWJICOGMJJPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NS/c14-13(15,16)10-4-6-12(7-5-10)18-9-11-3-1-2-8-17-11/h1-8H,9H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine?
2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine has a molecular weight of 269.29 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]pyridine is sourced from PubChem (CID 57025375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).