2-(benzyloxy)-3,5-dibromopyridine

• ChemBase ID: 290639
• Molecular Formular: C12H9Br2NO
• Molecular Mass: 343.01396
• Monoisotopic Mass: 340.90508791
• SMILES: Brc1cnc(OCc2ccccc2)c(Br)c1
• Canonical SMILES: Brc1cnc(c(c1)Br)OCc1ccccc1
• InChI: InChI=1S/C12H9Br2NO/c13-10-6-11(14)12(15-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2
• InChIKey: YNNOMHHKXNIXKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-3,5-dibromopyridine
• IUPAC Traditional name: 2-(benzyloxy)-3,5-dibromopyridine
• Synonyms: 2-(Benzyloxy)-3,5-dibromopyridine

Database IDs

• CAS Number: 130284-00-3
• PubChem SID: 180676170
• PubChem CID: 54758824

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4543376
• LogD (pH = 7.4): 4.454338
• Log P: 4.454338
• Molar Refractivity: 70.536 cm^3
• Polarizability: 27.253244 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%