4-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzaldehyde

• ChemBase ID: 265372
• Molecular Formular: C16H14N2O2
• Molecular Mass: 266.29456
• Monoisotopic Mass: 266.1055277
• SMILES: c12n(cc(n1)COc1ccc(C=O)cc1)cccc2C
• Canonical SMILES: O=Cc1ccc(cc1)OCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C16H14N2O2/c1-12-3-2-8-18-9-14(17-16(12)18)11-20-15-6-4-13(10-19)5-7-15/h2-10H,11H2,1H3
• InChIKey: CBGJECVVIDDPSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzaldehyde
• IUPAC Traditional name: 4-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzaldehyde
• Synonyms: 4-({8-methylimidazo[1,2-a]pyridin-2-yl}methoxy)benzaldehyde

Database IDs

• MDL Number: MFCD00725142
• PubChem SID: 164321282
• PubChem CID: 47002387

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1017709
• LogD (pH = 7.4): 2.6198323
• Log P: 2.6337469
• Molar Refractivity: 78.1152 cm^3
• Polarizability: 29.04864 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 3.31

Product Information

• Purity: 95%