2-(cyclohexyloxy)pyridine-4-carbonitrile

• ChemBase ID: 90649
• Molecular Formular: C12H14N2O
• Molecular Mass: 202.25236
• Monoisotopic Mass: 202.11061308
• SMILES: n1c(cc(cc1)C#N)OC1CCCCC1
• Canonical SMILES: N#Cc1ccnc(c1)OC1CCCCC1
• InChI: InChI=1S/C12H14N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h6-8,11H,1-5H2
• InChIKey: AGFMTASTDRSQEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexyloxy)pyridine-4-carbonitrile
• IUPAC Traditional name: 2-(cyclohexyloxy)pyridine-4-carbonitrile
• Synonyms: 2-(Cyclohexyloxy)pyridine-4-carbonitrile; 4-Cyano-2-(cyclohexyloxy)pyridine; 2-(Cyclohexyloxy)isonicotinonitrile

Database IDs

• PubChem SID: 162104835
• PubChem CID: 24703096

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8477263
• LogD (pH = 7.4): 2.8477263
• Log P: 2.8477263
• Molar Refractivity: 57.4136 cm^3
• Polarizability: 22.259535 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic/Harmful/Store under Argon