2,3,5-trifluoro-6-hydrazinylpyridin-4-amine

• ChemBase ID: 71083
• Molecular Formular: C5H5F3N4
• Molecular Mass: 178.1152096
• Monoisotopic Mass: 178.04663084
• SMILES: n1c(c(c(c(c1F)F)N)F)NN
• Canonical SMILES: NNc1nc(F)c(c(c1F)N)F
• InChI: InChI=1S/C5H5F3N4/c6-1-3(9)2(7)5(12-10)11-4(1)8/h10H2,(H3,9,11,12)
• InChIKey: NNAPOUMJOQASRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trifluoro-6-hydrazinylpyridin-4-amine
• IUPAC Traditional name: 2,3,5-trifluoro-6-hydrazinylpyridin-4-amine
• Synonyms: 2,3,5-Trifluoro-6-hydrazinylpyridin-4-amine; (4-Amino-3,5,6-trifluoropyrid-2-yl)hydrazine; 4-Amino-2-hydrazino-3,5,6-trifluoropyridine 97%

Database IDs

• CAS Number: 105252-94-6
• MDL Number: MFCD01862074
• PubChem SID: 162036789
• PubChem CID: 2737728

CALCULATED PROPERTIES

• Acid pKa: 16.742373
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.7312533
• LogD (pH = 7.4): 0.73390305
• Log P: 0.73478407
• Molar Refractivity: 40.2856 cm^3
• Polarizability: 12.650859 Å^3
• Polar Surface Area: 76.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193 °C; 191-193°C

Safety Information

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

Product Information

• Purity: >97%