5H,6H,7H,8H-imidazo[1,5-a]pyridine-5-carboxylic acid

• ChemBase ID: 287281
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: OC(=O)C1CCCc2cncn12
• Canonical SMILES: OC(=O)C1CCCc2n1cnc2
• InChI: InChI=1S/C8H10N2O2/c11-8(12)7-3-1-2-6-4-9-5-10(6)7/h4-5,7H,1-3H2,(H,11,12)
• InChIKey: LOVGNZYDLJDVNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,5-a]pyridine-5-carboxylic acid
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,5-a]pyridine-5-carboxylic acid
• Synonyms: 5,6,7,8-Tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

Database IDs

• CAS Number: 873785-69-4
• MDL Number: MFCD10566760
• PubChem SID: 180672812
• PubChem CID: 44558553

CALCULATED PROPERTIES

• Acid pKa: 3.7139606
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.36063814
• LogD (pH = 7.4): -0.76042444
• Log P: -0.3452367
• Molar Refractivity: 42.2825 cm^3
• Polarizability: 16.111696 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%