3,5-difluoro-2-hydrazinylpyridin-4-amine

• ChemBase ID: 100140
• Molecular Formular: C5H6F2N4
• Molecular Mass: 160.1247464
• Monoisotopic Mass: 160.05605265
• SMILES: n1c(c(c(c(c1)F)N)F)NN
• Canonical SMILES: NNc1ncc(c(c1F)N)F
• InChI: InChI=1S/C5H6F2N4/c6-2-1-10-5(11-9)3(7)4(2)8/h1H,9H2,(H3,8,10,11)
• InChIKey: VNFAXUJHGBTXOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-difluoro-2-hydrazinylpyridin-4-amine
• IUPAC Traditional name: 3,5-difluoro-2-hydrazinylpyridin-4-amine
• Synonyms: (4-Amino-3,5-difluoropyrid-2-yl)hydrazine; 4-Amino-3,5-difluoro-2-hydrazinopyridine 97%

Database IDs

• MDL Number: MFCD01862060
• PubChem SID: 162086266
• PubChem CID: 2737650

CALCULATED PROPERTIES

• Acid pKa: 17.50436
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.1403215
• LogD (pH = 7.4): -0.065347716
• Log P: 0.19815145
• Molar Refractivity: 39.0545 cm^3
• Polarizability: 12.732347 Å^3
• Polar Surface Area: 76.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant