4-hydrazinyl-2,6-bis(trifluoromethyl)pyridine

• ChemBase ID: 71058
• Molecular Formular: C7H5F6N3
• Molecular Mass: 245.1251192
• Monoisotopic Mass: 245.0387665
• SMILES: c1c(nc(cc1NN)C(F)(F)F)C(F)(F)F
• Canonical SMILES: NNc1cc(nc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H5F6N3/c8-6(9,10)4-1-3(16-14)2-5(15-4)7(11,12)13/h1-2H,14H2,(H,15,16)
• InChIKey: LFYNRHGBVYEUDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2,6-bis(trifluoromethyl)pyridine
• IUPAC Traditional name: 4-hydrazinyl-2,6-bis(trifluoromethyl)pyridine
• Synonyms: 4-Hydrazinyl-2,6-bis(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD01936019
• PubChem SID: 162036764
• PubChem CID: 2764608

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5825508
• LogD (pH = 7.4): 2.6733243
• Log P: 2.6746137
• Molar Refractivity: 44.8112 cm^3
• Polarizability: 15.0596285 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126 °C; 124-126°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%