2-[4-(trifluoromethyl)phenyl]sulfanylpyridine

C12H8F3NS — CID 91806192

IUPAC2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
SMILESFC(F)(F)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C12H8F3NS/c13-12(14,15)9-4-6-10(7-5-9)17-11-3-1-2-8-16-11/h1-8H
InChIKeyBOLGHFFDYVIMLT-UHFFFAOYSA-N
MW255.26 g/mol
LogP4.25
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine

2-[4-(trifluoromethyl)phenyl]sulfanylpyridine (PubChem CID 91806192) has the molecular formula C12H8F3NS and a molecular weight of 255.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
PubChem CID91806192
Molecular FormulaC12H8F3NS
Molecular Weight255.26 g/mol
Exact Mass255.03
IUPAC Name2-[4-(trifluoromethyl)phenyl]sulfanylpyridine
SMILESFC(F)(F)c1ccc(Sc2ccccn2)cc1
InChIInChI=1S/C12H8F3NS/c13-12(14,15)9-4-6-10(7-5-9)17-11-3-1-2-8-16-11/h1-8H
InChIKeyBOLGHFFDYVIMLT-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 54.25
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]sulfanylpyridine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine (CID 91806192) is 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine is FC(F)(F)c1ccc(Sc2ccccn2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine?
The InChIKey is BOLGHFFDYVIMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NS/c13-12(14,15)9-4-6-10(7-5-9)17-11-3-1-2-8-16-11/h1-8H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine?
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine has a molecular weight of 255.26 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]sulfanylpyridine is sourced from PubChem (CID 91806192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).