2-{imidazo[1,2-a]pyridin-2-yl}acetohydrazide

• ChemBase ID: 285756
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: n1c2n(cc1CC(=O)NN)cccc2
• Canonical SMILES: NNC(=O)Cc1nc2n(c1)cccc2
• InChI: InChI=1S/C9H10N4O/c10-12-9(14)5-7-6-13-4-2-1-3-8(13)11-7/h1-4,6H,5,10H2,(H,12,14)
• InChIKey: DSRNWRPRNMPQDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridin-2-yl}acetohydrazide
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridin-2-yl}acetohydrazide
• Synonyms: 2-{imidazo[1,2-a]pyridin-2-yl}acetohydrazide

Database IDs

• MDL Number: MFCD03483902
• PubChem SID: 180671287
• PubChem CID: 4345699

CALCULATED PROPERTIES

• Acid pKa: 12.463236
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.94351983
• LogD (pH = 7.4): -0.33907935
• Log P: -0.32027027
• Molar Refractivity: 53.1783 cm^3
• Polarizability: 19.61283 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): -0.592

Product Information

• Purity: 95%