2,6-bis(benzyloxy)-3-bromopyridine

• ChemBase ID: 290621
• Molecular Formular: C19H16BrNO2
• Molecular Mass: 370.23984
• Monoisotopic Mass: 369.03644076
• SMILES: Brc1ccc(OCc2ccccc2)nc1OCc1ccccc1
• Canonical SMILES: Brc1ccc(nc1OCc1ccccc1)OCc1ccccc1
• InChI: InChI=1S/C19H16BrNO2/c20-17-11-12-18(22-13-15-7-3-1-4-8-15)21-19(17)23-14-16-9-5-2-6-10-16/h1-12H,13-14H2
• InChIKey: BHPOOUUMRGOCIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(benzyloxy)-3-bromopyridine
• IUPAC Traditional name: 2,6-bis(benzyloxy)-3-bromopyridine
• Synonyms: 2,6-Bis(benzyloxy)-3-bromopyridine

Database IDs

• CAS Number: 16727-47-2
• PubChem SID: 180676152
• PubChem CID: 21818496

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.8468437
• LogD (pH = 7.4): 5.8468447
• Log P: 5.8468447
• Molar Refractivity: 94.3025 cm^3
• Polarizability: 36.351562 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%