3-(benzyloxy)-5-bromopyridine

• ChemBase ID: 807261
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: n1cc(cc(c1)Br)OCc1ccccc1
• Canonical SMILES: Brc1cncc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H10BrNO/c13-11-6-12(8-14-7-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: YSHKYZAWTWKQKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-5-bromopyridine
• IUPAC Traditional name: 3-(benzyloxy)-5-bromopyridine
• Synonyms: 3-(BENZYLOXY)-5-BROMOPYRIDINE

Database IDs

• CAS Number: 130722-95-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0897162
• LogD (pH = 7.4): 3.09111
• Log P: 3.0911279
• Molar Refractivity: 62.5997 cm^3
• Polarizability: 24.274187 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%