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

• ChemBase ID: 241458
• Molecular Formular: C8H10N2O2
• Molecular Mass: 166.1772
• Monoisotopic Mass: 166.07422757
• SMILES: n12c(CC(C(=O)O)CC2)cnc1
• Canonical SMILES: OC(=O)C1CCn2c(C1)cnc2
• InChI: InChI=1S/C8H10N2O2/c11-8(12)6-1-2-10-5-9-4-7(10)3-6/h4-6H,1-3H2,(H,11,12)
• InChIKey: JIASDMFGYACABF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18830372
• PubChem SID: 164297368
• PubChem CID: 10749571

CALCULATED PROPERTIES

• Acid pKa: 4.0294404
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8422741
• LogD (pH = 7.4): -1.6892122
• Log P: -0.8013752
• Molar Refractivity: 42.6925 cm^3
• Polarizability: 16.184717 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): -0.537

Product Information

• Purity: 95%