8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide

• ChemBase ID: 96739
• Molecular Formular: C9H6ClF3N4O
• Molecular Mass: 278.6183496
• Monoisotopic Mass: 278.01822317
• SMILES: n12c(nc(c1)C(=O)NN)c(cc(c2)C(F)(F)F)Cl
• Canonical SMILES: NNC(=O)c1cn2c(n1)c(Cl)cc(c2)C(F)(F)F
• InChI: InChI=1S/C9H6ClF3N4O/c10-5-1-4(9(11,12)13)2-17-3-6(8(18)16-14)15-7(5)17/h1-3H,14H2,(H,16,18)
• InChIKey: JKCCTTSRDAUJTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
• IUPAC Traditional name: 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
• Synonyms: 8-Chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide

Database IDs

• MDL Number: MFCD02180541
• PubChem SID: 162083388
• PubChem CID: 2725939

CALCULATED PROPERTIES

• Acid pKa: 14.015283
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1804423
• LogD (pH = 7.4): 1.1814446
• Log P: 1.1814575
• Molar Refractivity: 59.9054 cm^3
• Polarizability: 20.972889 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Store Cold