5-hydrazinyl-2-(trifluoromethyl)pyridine

• ChemBase ID: 61559
• Molecular Formular: C6H6F3N3
• Molecular Mass: 177.1271496
• Monoisotopic Mass: 177.05138187
• SMILES: C(c1ncc(NN)cc1)(F)(F)F
• Canonical SMILES: NNc1ccc(nc1)C(F)(F)F
• InChI: InChI=1S/C6H6F3N3/c7-6(8,9)5-2-1-4(12-10)3-11-5/h1-3,12H,10H2
• InChIKey: KLLXIDZXMUALHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-hydrazinyl-2-(trifluoromethyl)pyridine
• IUPAC Traditional name: 5-hydrazinyl-2-(trifluoromethyl)pyridine
• Synonyms: 5-Hydrazinyl-2-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 1035173-53-5
• MDL Number: MFCD11113388
• PubChem SID: 162027300
• PubChem CID: 45598100

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3010672
• LogD (pH = 7.4): 1.4093438
• Log P: 1.4109148
• Molar Refractivity: 39.2095 cm^3
• Polarizability: 13.316658 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false