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

• ChemBase ID: 70678
• Molecular Formular: C8H6N2O2
• Molecular Mass: 162.14544
• Monoisotopic Mass: 162.04292744
• SMILES: c12ccc(cn1cnc2)C(=O)O
• Canonical SMILES: OC(=O)c1ccc2n(c1)cnc2
• InChI: InChI=1S/C8H6N2O2/c11-8(12)6-1-2-7-3-9-5-10(7)4-6/h1-5H,(H,11,12)
• InChIKey: JUDANXSOGJLMJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 256935-76-9
• MDL Number: MFCD11042992
• PubChem SID: 162036391
• PubChem CID: 22565897

CALCULATED PROPERTIES

• Acid pKa: 3.4705086
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.74964386
• LogD (pH = 7.4): -0.87557983
• Log P: -0.7554539
• Molar Refractivity: 43.5929 cm^3
• Polarizability: 16.299143 Å^3
• Polar Surface Area: 54.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%