2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetohydrazide

• ChemBase ID: 51314
• Molecular Formular: C10H9F3N4O
• Molecular Mass: 258.1998696
• Monoisotopic Mass: 258.07284559
• SMILES: n12c(nc(c2)CC(=O)NN)ccc(c1)C(F)(F)F
• Canonical SMILES: NNC(=O)Cc1cn2c(n1)ccc(c2)C(F)(F)F
• InChI: InChI=1S/C10H9F3N4O/c11-10(12,13)6-1-2-8-15-7(3-9(18)16-14)5-17(8)4-6/h1-2,4-5H,3,14H2,(H,16,18)
• InChIKey: BXPIUMAVBGACLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetohydrazide
• IUPAC Traditional name: 2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetohydrazide
• Synonyms: 2-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-acetohydrazide; 2-(2-Hydrazino-2-oxoethyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine, [6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid hydrazide; 2-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetohydrazide

Database IDs

• MDL Number: MFCD16140326
• PubChem SID: 162056077
• PubChem CID: 50853218

CALCULATED PROPERTIES

• Acid pKa: 11.050612
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.03031739
• LogD (pH = 7.4): 0.5407453
• Log P: 0.5575782
• Molar Refractivity: 59.152 cm^3
• Polarizability: 20.905607 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 °C; 222°C

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%