2-(benzyloxy)-5-bromopyridine

• ChemBase ID: 71297
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: n1c(OCc2ccccc2)ccc(c1)Br
• Canonical SMILES: Brc1ccc(nc1)OCc1ccccc1
• InChI: InChI=1S/C12H10BrNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: LXKTVNFZAFTUNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-bromopyridine
• IUPAC Traditional name: 2-(benzyloxy)-5-bromopyridine
• Synonyms: 2-Benzyloxy-5-bromopyridine; 2-Benzyloxy-5-bromopyridine; 2-苄氧基-5-溴吡啶

Database IDs

• CAS Number: 83664-33-9
• MDL Number: MFCD09037462
• PubChem SID: 162036887
• PubChem CID: 11108191

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6855695
• LogD (pH = 7.4): 3.6855853
• Log P: 3.6855855
• Molar Refractivity: 62.9132 cm^3
• Polarizability: 24.276722 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-48°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%