3,5-difluoro-2,6-dihydrazinylpyridin-4-amine

• ChemBase ID: 100141
• Molecular Formular: C5H8F2N6
• Molecular Mass: 190.1540264
• Monoisotopic Mass: 190.07785073
• SMILES: n1c(c(c(c(c1NN)F)N)F)NN
• Canonical SMILES: NNc1nc(NN)c(c(c1F)N)F
• InChI: InChI=1S/C5H8F2N6/c6-1-3(8)2(7)5(13-10)11-4(1)12-9/h9-10H2,(H4,8,11,12,13)
• InChIKey: ARWGZRPDWOHEEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-2,6-dihydrazinylpyridin-4-amine
• IUPAC Traditional name: 3,5-difluoro-2,6-dihydrazinylpyridin-4-amine
• Synonyms: 4-Amino-3,5-difluoro-2,6-dihydrazinopyridine 97%

Database IDs

• MDL Number: MFCD01862072
• PubChem SID: 162086267
• PubChem CID: 2737782

CALCULATED PROPERTIES

• Acid pKa: 17.307999
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -1.8110547
• LogD (pH = 7.4): -1.7858521
• Log P: 0.18425159
• Molar Refractivity: 49.0747 cm^3
• Polarizability: 15.33858 Å^3
• Polar Surface Area: 115.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant