Description

3-(Trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (CAS No. 905273-66-7) is a high-purity heterocyclic compound with the molecular formula C₈H₇F₃N₂. This specialized chemical features a trifluoromethyl group attached to a fused pyrrolo[3,4-b]pyridine core, making it a valuable scaffold in medicinal chemistry and pharmaceutical research. The compound is supplied as a stable solid with ≥95% purity (HPLC), rigorously tested for consistency and quality. Ideal for high-throughput screening, lead optimization, and structure-activity relationship (SAR) studies. Store under inert conditions at -20°C for long-term stability. Available in convenient research quantities (100mg to 10g) with optional custom synthesis options.

Properties

• CAS Number: 905273-66-7
• Complexity: 192
• IUPAC Name: 3-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
• InChI: InChI=1S/C8H7F3N2/c9-8(10,11)6-1-5-2-12-4-7(5)13-3-6/h1,3,12H,2,4H2
• InChI Key: SXVAWVOBVDWMMD-UHFFFAOYSA-N
• Exact Mass: 188.05613272
• Molecular Formula: C8H7F3N2
• Molecular Weight: 188.15
• SMILES: C1C2=C(CN1)N=CC(=C2)C(F)(F)F
• Topological: 24.9
• Monoisotopic Mass: 188.05613272
• Synonyms: 3-(TRIFLUOROMETHYL)-6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDINE, 905273-66-7, 3-(TRIFLUOROMETHYL)-5H,6H,7H-PYRROLO[3,4-B]PYRIDINE, SCHEMBL621045, CHEMBL4534298, DTXSID20693115, SXVAWVOBVDWMMD-UHFFFAOYSA-N, AKOS006335612, AB70406, s11366, DB-347742, CS-0183176, 3-Trifluoromethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

Application

This trifluoromethyl-substituted dihydropyrrolopyridine derivative serves as a key intermediate in the development of bioactive molecules, particularly for CNS-targeting pharmaceuticals. The compound’s unique structure enables its use in kinase inhibitor research and fluorinated compound libraries. Researchers utilize it as a building block for PET tracer development due to the ¹⁹F NMR activity. Its rigid bicyclic system with electron-withdrawing properties makes it valuable for probing protein-ligand interactions in drug discovery programs.

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