imidazo[1,2-a]pyridine-6-carbaldehyde

• ChemBase ID: 101191
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: n12c(ncc2)ccc(c1)C=O
• Canonical SMILES: O=Cc1ccc2n(c1)ccn2
• InChI: InChI=1S/C8H6N2O/c11-6-7-1-2-8-9-3-4-10(8)5-7/h1-6H
• InChIKey: VDWYLKPRUHCLAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-6-carbaldehyde
• IUPAC Traditional name: imidazo[1,2-a]pyridine-6-carbaldehyde
• Synonyms: imidazo[1,2-a]pyridine-6-carbaldehyde

Database IDs

• CAS Number: 116355-16-9
• MDL Number: MFCD07772808
• PubChem SID: 162087576
• PubChem CID: 7164582

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.15043637
• LogD (pH = 7.4): 0.44812986
• Log P: 0.47205177
• Molar Refractivity: 42.5204 cm^3
• Polarizability: 15.184287 Å^3
• Polar Surface Area: 34.37 Å^2

PROPERTIES

Product Information

• Purity: 95%