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

• ChemBase ID: 66027
• Molecular Formular: C14H11ClN2O
• Molecular Mass: 258.70294
• Monoisotopic Mass: 258.05599066
• SMILES: n12c(ncc1Cl)c(OCc1ccccc1)ccc2
• Canonical SMILES: Clc1cnc2n1cccc2OCc1ccccc1
• InChI: InChI=1S/C14H11ClN2O/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: FRVRMNWDDJGQTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22126119
• PubChem SID: 162031766
• PubChem CID: 66545109

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.61173
• LogD (pH = 7.4): 2.6449628
• Log P: 2.6454067
• Molar Refractivity: 71.8181 cm^3
• Polarizability: 27.296734 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115 - 117 °C; 115-117°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >97%