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

• ChemBase ID: 250716
• Molecular Formular: C15H12N2O2
• Molecular Mass: 252.26798
• Monoisotopic Mass: 252.08987763
• SMILES: n1c2n(cc1COc1ccc(C=O)cc1)cccc2
• Canonical SMILES: O=Cc1ccc(cc1)OCc1nc2n(c1)cccc2
• InChI: InChI=1S/C15H12N2O2/c18-10-12-4-6-14(7-5-12)19-11-13-9-17-8-2-1-3-15(17)16-13/h1-10H,11H2
• InChIKey: DJDDDYGGKVCWQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[1,2-a]pyridin-2-ylmethoxy}benzaldehyde
• IUPAC Traditional name: 4-{imidazo[1,2-a]pyridin-2-ylmethoxy}benzaldehyde
• Synonyms: 4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzaldehyde

Database IDs

• CAS Number: 118001-76-6
• MDL Number: MFCD00548333
• PubChem SID: 164306626
• PubChem CID: 739244

CALCULATED PROPERTIES

• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7404991
• LogD (pH = 7.4): 2.1124282
• Log P: 2.1203256
• Molar Refractivity: 73.074 cm^3
• Polarizability: 27.28442 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.611

Product Information

• Purity: 95%