2-(benzyloxy)-5-bromo-3-methylpyridine

• ChemBase ID: 796660
• Molecular Formular: C13H12BrNO
• Molecular Mass: 278.14448
• Monoisotopic Mass: 277.01022601
• SMILES: n1c(c(cc(c1)Br)C)OCc1ccccc1
• Canonical SMILES: Brc1cnc(c(c1)C)OCc1ccccc1
• InChI: InChI=1S/C13H12BrNO/c1-10-7-12(14)8-15-13(10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
• InChIKey: IYQUGOYFVFTNMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-bromo-3-methylpyridine
• IUPAC Traditional name: 2-(benzyloxy)-5-bromo-3-methylpyridine
• Synonyms: 2-(Benzyloxy)-5-broMo-3-Methylpyridine

Database IDs

• CAS Number: 1289270-73-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.198949
• LogD (pH = 7.4): 4.199006
• Log P: 4.1990066
• Molar Refractivity: 67.9544 cm^3
• Polarizability: 26.031864 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%