2-(benzyloxy)-5-methylpyridine

• ChemBase ID: 52692
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1(cnc(cc1)OCc1ccccc1)C
• Canonical SMILES: Cc1ccc(nc1)OCc1ccccc1
• InChI: InChI=1S/C13H13NO/c1-11-7-8-13(14-9-11)15-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
• InChIKey: WSNVIUZAXLTSLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-methylpyridine
• IUPAC Traditional name: 2-(benzyloxy)-5-methylpyridine
• Synonyms: 2-(Benzyloxy)-5-methylpyridine

Database IDs

• CAS Number: 92028-39-2
• MDL Number: MFCD12674802
• PubChem SID: 162057455
• PubChem CID: 45933810

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.427629
• LogD (pH = 7.4): 3.430221
• Log P: 3.4302542
• Molar Refractivity: 60.3316 cm^3
• Polarizability: 23.325375 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%