2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

C13H7F3N2OS — CID 79877221

IUPAC2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Sc1ccccc1O
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)11-6-5-8(7-17)12(18-11)20-10-4-2-1-3-9(10)19/h1-6,19H
InChIKeyJUMHYSVKUNHZSC-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.83
Rot. Bonds2

About 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877221) has the molecular formula C13H7F3N2OS and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877221
Molecular FormulaC13H7F3N2OS
Molecular Weight296.27 g/mol
Exact Mass296.02
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1Sc1ccccc1O
InChIInChI=1S/C13H7F3N2OS/c14-13(15,16)11-6-5-8(7-17)12(18-11)20-10-4-2-1-3-9(10)19/h1-6,19H
InChIKeyJUMHYSVKUNHZSC-UHFFFAOYSA-N
XLogP3.83
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877221) is 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1Sc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is JUMHYSVKUNHZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2OS/c14-13(15,16)11-6-5-8(7-17)12(18-11)20-10-4-2-1-3-9(10)19/h1-6,19H.
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 296.27 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).