imidazo[1,5-a]pyridine

• ChemBase ID: 88249
• Molecular Formular: C7H6N2
• Molecular Mass: 118.13594
• Monoisotopic Mass: 118.0530982
• SMILES: n12c(cnc1)cccc2
• Canonical SMILES: c1ccc2n(c1)cnc2
• InChI: InChI=1S/C7H6N2/c1-2-4-9-6-8-5-7(9)3-1/h1-6H
• InChIKey: JMANUKZDKDKBJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 274-47-5
• PubChem SID: 162075234
• PubChem CID: 274090

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.1734373
• LogD (pH = 7.4): 0.06276157
• Log P: 0.41140565
• Molar Refractivity: 36.3367 cm^3
• Polarizability: 13.979686 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic

Product Information

• Purity: 95+%