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

C14H15F3N2S — CID 79877541

IUPAC2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCC(Sc2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C14H15F3N2S/c1-9-3-2-4-11(7-9)20-13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3
InChIKeyIHIHDZIPROBYHG-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.64
Rot. Bonds2

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

2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877541) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877541
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCC(Sc2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C14H15F3N2S/c1-9-3-2-4-11(7-9)20-13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3
InChIKeyIHIHDZIPROBYHG-UHFFFAOYSA-N
XLogP4.64
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylcyclohexyl)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-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877541) is 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1CCCC(Sc2nc(C(F)(F)F)ccc2C#N)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IHIHDZIPROBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-9-3-2-4-11(7-9)20-13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3.
What are the key properties of 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 300.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).