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

• ChemBase ID: 292756
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: COC(=O)C1CCc2cncn2C1
• Canonical SMILES: COC(=O)C1CCc2n(C1)cnc2
• InChI: InChI=1S/C9H12N2O2/c1-13-9(12)7-2-3-8-4-10-6-11(8)5-7/h4,6-7H,2-3,5H2,1H3
• InChIKey: SKHKESZMMHHOIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 139183-91-8
• PubChem SID: 180678287
• PubChem CID: 10511572

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2066111
• LogD (pH = 7.4): 0.2517054
• Log P: 0.2961174
• Molar Refractivity: 47.3076 cm^3
• Polarizability: 18.255611 Å^3
• Polar Surface Area: 44.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%