2-{imidazo[1,2-a]pyridin-2-ylmethoxy}benzaldehyde

• ChemBase ID: 266552
• Molecular Formular: C15H12N2O2
• Molecular Mass: 252.26798
• Monoisotopic Mass: 252.08987763
• SMILES: n1c2n(cc1COc1c(C=O)cccc1)cccc2
• Canonical SMILES: O=Cc1ccccc1OCc1nc2n(c1)cccc2
• InChI: InChI=1S/C15H12N2O2/c18-10-12-5-1-2-6-14(12)19-11-13-9-17-8-4-3-7-15(17)16-13/h1-10H,11H2
• InChIKey: BNKAPWMAPRKXLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridin-2-ylmethoxy}benzaldehyde
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridin-2-ylmethoxy}benzaldehyde
• Synonyms: 2-{imidazo[1,2-a]pyridin-2-ylmethoxy}benzaldehyde

Database IDs

• MDL Number: MFCD06316567
• PubChem SID: 164322462
• PubChem CID: 4702060

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7405045
• LogD (pH = 7.4): 2.1124284
• Log P: 2.1203256
• Molar Refractivity: 73.074 cm^3
• Polarizability: 27.28696 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 2.811

Product Information

• Purity: 95%