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

• ChemBase ID: 43589
• Molecular Formular: C9H7F3N4O
• Molecular Mass: 244.1732896
• Monoisotopic Mass: 244.05719552
• SMILES: c1(cn2c(cc1)nc(c2)C(=O)NN)C(F)(F)F
• Canonical SMILES: NNC(=O)c1cn2c(n1)ccc(c2)C(F)(F)F
• InChI: InChI=1S/C9H7F3N4O/c10-9(11,12)5-1-2-7-14-6(8(17)15-13)4-16(7)3-5/h1-4H,13H2,(H,15,17)
• InChIKey: LXKZQBOOQAKOEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11100215
• PubChem SID: 162048352
• PubChem CID: 27282732

CALCULATED PROPERTIES

• Acid pKa: 14.1437025
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5731596
• LogD (pH = 7.4): 0.5773589
• Log P: 0.57741284
• Molar Refractivity: 55.1006 cm^3
• Polarizability: 18.938234 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202 - 203 °C; 202-203°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%