3-(benzyloxy)-2-methoxypyridine

• ChemBase ID: 248133
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c1(ncccc1OCc1ccccc1)OC
• Canonical SMILES: COc1ncccc1OCc1ccccc1
• InChI: InChI=1S/C13H13NO2/c1-15-13-12(8-5-9-14-13)16-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3
• InChIKey: DEFQYOQSCPJSBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-2-methoxypyridine
• IUPAC Traditional name: 3-(benzyloxy)-2-methoxypyridine
• Synonyms: 3-(benzyloxy)-2-methoxypyridine

Database IDs

• PubChem SID: 164304043
• PubChem CID: 58779652

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7583797
• LogD (pH = 7.4): 2.7591517
• Log P: 2.7591615
• Molar Refractivity: 61.7536 cm^3
• Polarizability: 24.062042 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.281

Product Information

• Purity: 95%