imidazo[1,2-a]pyridine-5-carbaldehyde

• ChemBase ID: 240864
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n12c(ncc2)cccc1C=O
• Canonical SMILES: O=Cc1cccc2n1ccn2
• InChI: InChI=1S/C8H6N2O/c11-6-7-2-1-3-8-9-4-5-10(7)8/h1-6H
• InChIKey: IZZPLXLDWJCBDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-5-carbaldehyde
• IUPAC Traditional name: imidazo[1,2-a]pyridine-5-carbaldehyde
• Synonyms: imidazo[1,2-a]pyridine-5-carbaldehyde

Database IDs

• MDL Number: MFCD10698080
• PubChem SID: 164296774
• PubChem CID: 10975625

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.33924332
• LogD (pH = 7.4): 0.35389337
• Log P: 0.3920529
• Molar Refractivity: 42.3979 cm^3
• Polarizability: 15.187726 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 1.147

Product Information

• Purity: 95%