6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile

• ChemBase ID: 263552
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: N#Cc1cnc(OCc2ccc(cc2)OC)cc1
• Canonical SMILES: COc1ccc(cc1)COc1ccc(cn1)C#N
• InChI: InChI=1S/C14H12N2O2/c1-17-13-5-2-11(3-6-13)10-18-14-7-4-12(8-15)9-16-14/h2-7,9H,10H2,1H3
• InChIKey: GCLXYAPFCZSSPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
• IUPAC Traditional name: 6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile
• Synonyms: 6-[(4-methoxyphenyl)methoxy]pyridine-3-carbonitrile

Database IDs

• MDL Number: MFCD11147563
• PubChem SID: 164319462
• PubChem CID: 28491040

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6152575
• LogD (pH = 7.4): 2.6152577
• Log P: 2.6152577
• Molar Refractivity: 67.4752 cm^3
• Polarizability: 25.888195 Å^3
• Polar Surface Area: 55.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101 - 103°C
• Hydrophobicity(logP): 2.324

Product Information

• Purity: 95%