imidazo[1,2-a]pyridine-2-carbohydrazide

• ChemBase ID: 297347
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: c1ccn2cc(nc2c1)C(=O)NN
• Canonical SMILES: NNC(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C8H8N4O/c9-11-8(13)6-5-12-4-2-1-3-7(12)10-6/h1-5H,9H2,(H,11,13)
• InChIKey: RHZQESDITRQWDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-2-carbohydrazide
• IUPAC Traditional name: imidazo[1,2-a]pyridine-2-carbohydrazide
• Synonyms: Imidazo[1,2-a]pyridine-7-carbohydrazide

Database IDs

• CAS Number: 421595-78-0
• MDL Number: MFCD13183226
• PubChem SID: 180682878
• PubChem CID: 3628165

CALCULATED PROPERTIES

• Acid pKa: 14.148152
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3051647
• LogD (pH = 7.4): -0.30049562
• Log P: -0.30043566
• Molar Refractivity: 49.1269 cm^3
• Polarizability: 17.57853 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258-261°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%