6-(benzyloxy)pyridine-2-carbonitrile

• ChemBase ID: 292666
• Molecular Formular: C13H10N2O
• Molecular Mass: 210.2313
• Monoisotopic Mass: 210.07931295
• SMILES: N#Cc1nc(OCc2ccccc2)ccc1
• Canonical SMILES: N#Cc1cccc(n1)OCc1ccccc1
• InChI: InChI=1S/C13H10N2O/c14-9-12-7-4-8-13(15-12)16-10-11-5-2-1-3-6-11/h1-8H,10H2
• InChIKey: FWIJCBURYXWOFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(benzyloxy)pyridine-2-carbonitrile
• IUPAC Traditional name: 6-(benzyloxy)pyridine-2-carbonitrile
• Synonyms: 6-(Benzyloxy)picolinonitrile

Database IDs

• CAS Number: 190582-95-7
• PubChem SID: 180678197
• PubChem CID: 11052904

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1587791
• LogD (pH = 7.4): 3.1587794
• Log P: 3.1587794
• Molar Refractivity: 60.64 cm^3
• Polarizability: 23.381218 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%