ethyl 5H,6H,7H,8H-imidazo[1,5-a]pyridine-5-carboxylate

• ChemBase ID: 292755
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: CCOC(=O)C1CCCc2cncn12
• Canonical SMILES: CCOC(=O)C1CCCc2n1cnc2
• InChI: InChI=1S/C10H14N2O2/c1-2-14-10(13)9-5-3-4-8-6-11-7-12(8)9/h6-7,9H,2-5H2,1H3
• InChIKey: KKVFMRXKYPNVQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5H,6H,7H,8H-imidazo[1,5-a]pyridine-5-carboxylate
• IUPAC Traditional name: ethyl 5H,6H,7H,8H-imidazo[1,5-a]pyridine-5-carboxylate
• Synonyms: Ethyl 5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate

Database IDs

• CAS Number: 873785-71-8
• PubChem SID: 180678286
• PubChem CID: 69574173

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.40227926
• LogD (pH = 7.4): 0.83538824
• Log P: 0.96421295
• Molar Refractivity: 51.8002 cm^3
• Polarizability: 20.013208 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%