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

• ChemBase ID: 293398
• Molecular Formular: C8H6N2O
• Molecular Mass: 146.14604
• Monoisotopic Mass: 146.04801282
• SMILES: O=Cc1c2ccccn2cn1
• Canonical SMILES: O=Cc1ncn2c1cccc2
• InChI: InChI=1S/C8H6N2O/c11-5-7-8-3-1-2-4-10(8)6-9-7/h1-6H
• InChIKey: FBNBTPDUMOHHFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 56671-67-1
• PubChem SID: 180678929
• PubChem CID: 12222773

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2672515
• LogD (pH = 7.4): 0.7817906
• Log P: 0.7984511
• Molar Refractivity: 42.5355 cm^3
• Polarizability: 15.861292 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%