3-(benzyloxy)pyridine

• ChemBase ID: 64982
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: c1cncc(c1)OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1cccnc1
• InChI: InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
• InChIKey: LLWFWIZOFFLRKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)pyridine
• IUPAC Traditional name: 3-(benzyloxy)pyridine
• Synonyms: 3-Benzyloxypyridine

Database IDs

• CAS Number: 76509-17-6
• MDL Number: MFCD13151998
• PubChem SID: 162030721
• PubChem CID: 10012635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2547345
• LogD (pH = 7.4): 2.321437
• Log P: 2.3223753
• Molar Refractivity: 54.9769 cm^3
• Polarizability: 21.556038 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%