imidazo[1,2-a]pyridine-7-carbohydrazide

• ChemBase ID: 65980
• Molecular Formular: C8H8N4O
• Molecular Mass: 176.17532
• Monoisotopic Mass: 176.0698109
• SMILES: c12n(ccc(c1)C(=O)NN)ccn2
• Canonical SMILES: NNC(=O)c1ccn2c(c1)ncc2
• InChI: InChI=1S/C8H8N4O/c9-11-8(13)6-1-3-12-4-2-10-7(12)5-6/h1-5H,9H2,(H,11,13)
• InChIKey: VXJBLZXLLRYHPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridine-7-carbohydrazide
• IUPAC Traditional name: imidazo[1,2-a]pyridine-7-carbohydrazide
• Synonyms: Imidazo[1,2-a]pyridine-7-carbohydrazide; Imidazo[1,2-a]pyridine-7-carboxylic acid hydrazide; 7-(Hydrazinocarbonyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 421595-78-0
• MDL Number: MFCD13183226
• PubChem SID: 162031719
• PubChem CID: 55281632

CALCULATED PROPERTIES

• Acid pKa: 13.510192
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.3314575
• LogD (pH = 7.4): -0.71251506
• Log P: -0.686286
• Molar Refractivity: 49.4989 cm^3
• Polarizability: 17.5733 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; 269 - 270 °C; 269-270°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• TSCA Listed: false

Product Information

• Purity: >95%