5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-one

• ChemBase ID: 71992
• Molecular Formular: C7H8N2O
• Molecular Mass: 136.15122
• Monoisotopic Mass: 136.06366289
• SMILES: n1ccn2c1C(=O)CCC2
• Canonical SMILES: O=C1CCCn2c1ncc2
• InChI: InChI=1S/C7H8N2O/c10-6-2-1-4-9-5-3-8-7(6)9/h3,5H,1-2,4H2
• InChIKey: KSQRGCBOOKYTTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyridin-8-one
• IUPAC Traditional name: 5H,6H,7H-imidazo[1,2-a]pyridin-8-one
• Synonyms: 6,7-Dihydroimidazo[1,2-a]pyridin-8(5H)-one

Database IDs

• PubChem SID: 162103848
• PubChem CID: 45087665

CALCULATED PROPERTIES

• Acid pKa: 15.351028
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.22453535
• LogD (pH = 7.4): 0.2404399
• Log P: 0.24064723
• Molar Refractivity: 36.6848 cm^3
• Polarizability: 13.857213 Å^3
• Polar Surface Area: 34.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT