ethyl imidazo[1,5-a]pyridine-1-carboxylate

• ChemBase ID: 286764
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: CCOC(=O)c1c2ccccn2cn1
• Canonical SMILES: CCOC(=O)c1ncn2c1cccc2
• InChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)9-8-5-3-4-6-12(8)7-11-9/h3-7H,2H2,1H3
• InChIKey: KLRVWFZTEPQRKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,5-a]pyridine-1-carboxylate
• IUPAC Traditional name: ethyl imidazo[1,5-a]pyridine-1-carboxylate
• Synonyms: Ethyl imidazo[1,5-a]pyridine-1-carboxylate

Database IDs

• CAS Number: 119448-87-2
• MDL Number: MFCD01237556
• PubChem SID: 180672295
• PubChem CID: 15669694

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.7882377
• LogD (pH = 7.4): 0.9548191
• Log P: 0.9575409
• Molar Refractivity: 52.7386 cm^3
• Polarizability: 20.235115 Å^3
• Polar Surface Area: 43.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%