8-(benzyloxy)-3-bromoimidazo[1,2-a]pyridine

• ChemBase ID: 112934
• Molecular Formular: C14H11BrN2O
• Molecular Mass: 303.15394
• Monoisotopic Mass: 302.00547498
• SMILES: n12c(ncc1Br)c(OCc1ccccc1)ccc2
• Canonical SMILES: Brc1cnc2n1cccc2OCc1ccccc1
• InChI: InChI=1S/C14H11BrN2O/c15-13-9-16-14-12(7-4-8-17(13)14)18-10-11-5-2-1-3-6-11/h1-9H,10H2
• InChIKey: MNOURXQMSYWOFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(benzyloxy)-3-bromoimidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-(benzyloxy)-3-bromoimidazo[1,2-a]pyridine
• Synonyms: 8-(benzyloxy)-3-bromoimidazo[1,2-a]pyridine

Database IDs

• MDL Number: MFCD21605751
• PubChem SID: 162097583
• PubChem CID: 13680201

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7508376
• LogD (pH = 7.4): 2.7948623
• Log P: 2.7954595
• Molar Refractivity: 74.417 cm^3
• Polarizability: 28.179853 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 115 °C

Product Information

• Purity: >97%