2-(benzyloxy)-3-bromopyridine

• ChemBase ID: 71256
• Molecular Formular: C12H10BrNO
• Molecular Mass: 264.1179
• Monoisotopic Mass: 262.99457595
• SMILES: c1(ncccc1Br)OCc1ccccc1
• Canonical SMILES: Brc1cccnc1OCc1ccccc1
• InChI: InChI=1S/C12H10BrNO/c13-11-7-4-8-14-12(11)15-9-10-5-2-1-3-6-10/h1-8H,9H2
• InChIKey: RPBPHGSYVPJXKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-3-bromopyridine
• IUPAC Traditional name: 2-(benzyloxy)-3-bromopyridine
• Synonyms: 2-(Benzyloxy)-3-bromopyridine; 2-Benzyloxy-3-bromopyridine; 2-Benzyloxy-3-broMopyridine; 2-苄氧基-3-溴吡啶

Database IDs

• CAS Number: 52200-49-4
• MDL Number: MFCD09037467
• PubChem SID: 162036846
• PubChem CID: 14712456

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.68556
• LogD (pH = 7.4): 3.685585
• Log P: 3.6855855
• Molar Refractivity: 62.9132 cm^3
• Polarizability: 24.284222 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

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%; 98%