2-hydrazinyl-4-(trifluoromethyl)pyridine

• ChemBase ID: 100465
• Molecular Formular: C6H6F3N3
• Molecular Mass: 177.1271496
• Monoisotopic Mass: 177.05138187
• SMILES: n1c(cc(cc1)C(F)(F)F)NN
• Canonical SMILES: NNc1nccc(c1)C(F)(F)F
• InChI: InChI=1S/C6H6F3N3/c7-6(8,9)4-1-2-11-5(3-4)12-10/h1-3H,10H2,(H,11,12)
• InChIKey: WZILPRUCOSGHAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-hydrazinyl-4-(trifluoromethyl)pyridine
• Synonyms: 2-Hydrazino-4-(trifluoromethyl)pyridine 97%

Database IDs

• CAS Number: 89570-84-3
• MDL Number: MFCD08056340
• PubChem SID: 162086623
• PubChem CID: 15150714

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.16609852
• LogD (pH = 7.4): 0.9575188
• Log P: 1.619522
• Molar Refractivity: 39.895 cm^3
• Polarizability: 13.313463 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic