Description

5-Fluoro-3-methyl-1H-indazole (CAS No. 945265-03-2) is a high-purity heterocyclic organic compound with the molecular formula C₈H₇FN₂. This fluorinated indazole derivative is a valuable building block in pharmaceutical and agrochemical research, offering unique reactivity due to its fused aromatic ring system and fluorine substitution. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), and is characterized by ¹H NMR, ¹³C NMR, and mass spectrometry for quality assurance. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability. Suitable for use in medicinal chemistry, this scaffold is particularly relevant for kinase inhibitor development and PET tracer synthesis.

Properties

• CAS Number: 945265-03-2
• Complexity: 151
• IUPAC Name: 5-fluoro-3-methyl-2H-indazole
• InChI: InChI=1S/C8H7FN2/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)
• InChI Key: LIYPWDQJKOCVNN-UHFFFAOYSA-N
• Exact Mass: 150.05932639
• Molecular Formula: C8H7FN2
• Molecular Weight: 150.15
• SMILES: CC1=C2C=C(C=CC2=NN1)F
• Topological: 28.7
• Monoisotopic Mass: 150.05932639
• Synonyms: 5-Fluoro-3-methyl-1H-indazole, 945265-03-2, 5-fluoro-3-methyl-2H-indazole, 1H-Indazole, 5-fluoro-3-methyl-, 5-FLUORO-3-METHYL-INDAZOLE, 1145777-88-3, SCHEMBL8045852, SCHEMBL29162977, DTXSID90669185, AKOS015853270, AKOS024124853, KS-9928, MB06522, DB-079950, DB-414018, F17785

Application

5-Fluoro-3-methyl-1H-indazole serves as a key intermediate in the synthesis of biologically active molecules, particularly in oncology research where indazole derivatives show promise as kinase inhibitors. The fluorine atom enhances binding affinity and metabolic stability in drug candidates. Researchers utilize this compound in Suzuki-Miyaura cross-coupling reactions to create diverse medicinal chemistry libraries. It’s also employed in the development of positron emission tomography (PET) radioligands due to the favorable properties of fluorine-18 isotopes.

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