5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile

C14H15F3N2O — CID 176986397

IUPAC5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCc1c(OC2CCCCC2)cnc(C#N)c1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-9-12(20-10-5-3-2-4-6-10)8-19-11(7-18)13(9)14(15,16)17/h8,10H,2-6H2,1H3
InChIKeyIXKCFJHYDUOQRL-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.99
Rot. Bonds2

About 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile

5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 176986397) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID176986397
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCc1c(OC2CCCCC2)cnc(C#N)c1C(F)(F)F
InChIInChI=1S/C14H15F3N2O/c1-9-12(20-10-5-3-2-4-6-10)8-19-11(7-18)13(9)14(15,16)17/h8,10H,2-6H2,1H3
InChIKeyIXKCFJHYDUOQRL-UHFFFAOYSA-N
XLogP3.99
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-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 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 176986397) is 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile is Cc1c(OC2CCCCC2)cnc(C#N)c1C(F)(F)F.
What is the InChIKey of 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is IXKCFJHYDUOQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9-12(20-10-5-3-2-4-6-10)8-19-11(7-18)13(9)14(15,16)17/h8,10H,2-6H2,1H3.
What are the key properties of 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile?
5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 284.28 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 176986397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).