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

• ChemBase ID: 84624
• Molecular Formular: C8H6BrClN4O
• Molecular Mass: 289.51644
• Monoisotopic Mass: 287.94135051
• SMILES: n1c2n(cc(Cl)cc2Br)cc1C(=O)NN
• Canonical SMILES: NNC(=O)c1cn2c(n1)c(Br)cc(c2)Cl
• InChI: InChI=1S/C8H6BrClN4O/c9-5-1-4(10)2-14-3-6(8(15)13-11)12-7(5)14/h1-3H,11H2,(H,13,15)
• InChIKey: GICXGPURNSINPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-6-chloroimidazo[1,2-a]pyridine-2-carbohydrazide
• IUPAC Traditional name: 8-bromo-6-chloroimidazo[1,2-a]pyridine-2-carbohydrazide
• Synonyms: 8-Bromo-6-chloroimidazo[1,2-a]pyridine-2-carbohydrazide

Database IDs

• MDL Number: MFCD09951830
• PubChem SID: 162071740
• PubChem CID: 28875311

CALCULATED PROPERTIES

• Acid pKa: 14.041874
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.071184
• LogD (pH = 7.4): 1.0723467
• Log P: 1.0723617
• Molar Refractivity: 61.5545 cm^3
• Polarizability: 22.53301 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store Cold