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

• ChemBase ID: 40367
• Molecular Formular: C8H7ClN4O
• Molecular Mass: 210.62038
• Monoisotopic Mass: 210.03083854
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)NN
• Canonical SMILES: NNC(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C8H7ClN4O/c9-5-1-2-7-11-6(8(14)12-10)4-13(7)3-5/h1-4H,10H2,(H,12,14)
• InChIKey: IUCNOGHXJSSDJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06797385
• PubChem SID: 162045130
• PubChem CID: 2763463

CALCULATED PROPERTIES

• Acid pKa: 14.140138
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.29912838
• LogD (pH = 7.4): 0.3035522
• Log P: 0.303609
• Molar Refractivity: 53.9317 cm^3
• Polarizability: 19.516922 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228-230°C; 235 - 237 °C; 235-237°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%