imidazo[1,2-a]pyridine-6-carbohydrazide

• ChemBase ID: 42239
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C8H8N4O/c9-11-8(13)6-1-2-7-10-3-4-12(7)5-6/h1-5H,9H2,(H,11,13)
• InChIKey: ZMQNWDRVASCREF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-6-carbohydrazide
• IUPAC Traditional name: imidazo[1,2-a]pyridine-6-carbohydrazide
• Synonyms: Imidazo[1,2-a]pyridine-6-carboxylic acid hydrazide; Imidazo[1,2-a]pyridine-6-carbohydrazide; Imidazo[1,2-a]pyridine-6-carboxylic acid hydrazide

Database IDs

• CAS Number: 886361-97-3
• MDL Number: MFCD07021499
• PubChem SID: 162047002
• PubChem CID: 16413557

CALCULATED PROPERTIES

• Acid pKa: 13.713451
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2972511
• LogD (pH = 7.4): -0.70903677
• Log P: -0.686286
• Molar Refractivity: 49.4989 cm^3
• Polarizability: 17.571943 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213-215°C; 219 - 221 °C; 219-221°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >95%; 97%