5,7-difluoro-1H-indazol-3-amine

• ChemBase ID: 803545
• Molecular Formular: C7H5F2N3
• Molecular Mass: 169.1315064
• Monoisotopic Mass: 169.04515362
• SMILES: c1(n[nH]c2c(cc(cc12)F)F)N
• Canonical SMILES: Fc1cc(F)c2c(c1)c(N)n[nH]2
• InChI: InChI=1S/C7H5F2N3/c8-3-1-4-6(5(9)2-3)11-12-7(4)10/h1-2H,(H3,10,11,12)
• InChIKey: HAQGVWGTSYKGQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-difluoro-1H-indazol-3-amine
• IUPAC Traditional name: 5,7-difluoro-1H-indazol-3-amine
• Synonyms: 5,7-DIFLUORO-1H-INDAZOL-3-AMINE

Database IDs

• CAS Number: 404827-65-2

CALCULATED PROPERTIES

• Acid pKa: 13.55082
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.3444576
• LogD (pH = 7.4): 1.3472077
• Log P: 1.3472432
• Molar Refractivity: 41.5198 cm^3
• Polarizability: 15.174037 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%