2-(benzyloxy)-4-bromopyridine

• ChemBase ID: 290595
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: Brc1cc(OCc2ccccc2)ncc1
• Canonical SMILES: Brc1ccnc(c1)OCc1ccccc1
• InChI: InChI=1S/C12H10BrNO/c13-11-6-7-14-12(8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: ZBTZIRNIUHLSSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-4-bromopyridine
• IUPAC Traditional name: 2-(benzyloxy)-4-bromopyridine
• Synonyms: 2-(Benzyloxy)-4-bromopyridine

Database IDs

• CAS Number: 960298-00-4
• PubChem SID: 180676126
• PubChem CID: 53217389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6855092
• LogD (pH = 7.4): 3.6855845
• Log P: 3.6855855
• Molar Refractivity: 62.9132 cm^3
• Polarizability: 24.272554 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%