imidazo[1,2-a]pyridine-3-carbaldehyde

• ChemBase ID: 37570
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n12c(cnc1cccc2)C=O
• Canonical SMILES: O=Cc1cnc2n1cccc2
• InChI: InChI=1S/C8H6N2O/c11-6-7-5-9-8-3-1-2-4-10(7)8/h1-6H
• InChIKey: KIMZVDLDHKECSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-3-carbaldehyde
• IUPAC Traditional name: imidazo[1,2-a]pyridine-3-carbaldehyde
• Synonyms: Imidazo[1,2-a]pyridine-3-carbaldehyde

Database IDs

• CAS Number: 6188-43-8
• MDL Number: MFCD07778354
• PubChem SID: 161000877
• PubChem CID: 10510981

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.27563316
• LogD (pH = 7.4): 0.39032713
• Log P: 0.3920529
• Molar Refractivity: 42.3979 cm^3
• Polarizability: 15.18889 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 120°C
• Hydrophobicity(logP): 1.29

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%