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

• ChemBase ID: 112929
• Molecular Formular: C14H11IN2O
• Molecular Mass: 350.15441
• Monoisotopic Mass: 349.99161098
• SMILES: n12c(ncc1I)c(OCc1ccccc1)ccc2
• Canonical SMILES: Ic1cnc2n1cccc2OCc1ccccc1
• InChI: InChI=1S/C14H11IN2O/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: AKJCFRKLPAJOHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06739197
• PubChem SID: 162097894
• PubChem CID: 57355243

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4194102
• LogD (pH = 7.4): 3.4713125
• Log P: 3.4720225
• Molar Refractivity: 78.6736 cm^3
• Polarizability: 30.528696 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 151 °C

Product Information

• Purity: >97%