2,3,5,6-tetrafluoro-4-hydrazinylpyridine

• ChemBase ID: 100801
• Molecular Formular: C5H3F4N3
• Molecular Mass: 181.0910328
• Monoisotopic Mass: 181.02630999
• SMILES: n1c(c(c(c(c1F)F)NN)F)F
• Canonical SMILES: NNc1c(F)c(F)nc(c1F)F
• InChI: InChI=1S/C5H3F4N3/c6-1-3(12-10)2(7)5(9)11-4(1)8/h10H2,(H,11,12)
• InChIKey: ANSZZPJMTBLPCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6-tetrafluoro-4-hydrazinylpyridine
• IUPAC Traditional name: 2,3,5,6-tetrafluoro-4-hydrazinylpyridine
• Synonyms: 2,3,5,6-Tetrafluoro-4-hydrazinopyridine

Database IDs

• CAS Number: 1735-44-0
• MDL Number: MFCD02258887
• PubChem SID: 162086650
• PubChem CID: 2064031

CALCULATED PROPERTIES

• Acid pKa: 15.511348
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4040844
• LogD (pH = 7.4): 1.4169778
• Log P: 1.5058851
• Molar Refractivity: 36.5028 cm^3
• Polarizability: 11.447098 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56-57°C

Safety Information

• Storage Warning: Irritant