Description

5-Fluoro-6-oxo-1,6-dihydropyridine-2-carbonitrile (CAS No. 1239510-82-7) is a high-purity heterocyclic organic compound with the molecular formula C₆H₃FN₂O. This specialized chemical features a pyridine core substituted with a fluoro group at the 5-position, a carbonyl (oxo) group at the 6-position, and a nitrile (carbonitrile) moiety at the 2-position, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. Its IUPAC name is 5-fluoro-6-oxo-1H-pyridine-2-carbonitrile, and it is supplied as a fine crystalline powder with ≥95% purity (HPLC). Ideal for researchers in medicinal chemistry, this compound is rigorously characterized by ¹H/¹³C NMR, LC-MS, and elemental analysis to ensure batch-to-batch consistency. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 1239510-82-7
• Complexity: 281
• IUPAC Name: 5-fluoro-6-oxo-1H-pyridine-2-carbonitrile
• InChI: InChI=1S/C6H3FN2O/c7-5-2-1-4(3-8)9-6(5)10/h1-2H,(H,9,10)
• InChI Key: ONPYRZSDSGLGKI-UHFFFAOYSA-N
• Exact Mass: 138.02294089
• Molecular Formula: C6H3FN2O
• Molecular Weight: 138.10
• SMILES: C1=C(NC(=O)C(=C1)F)C#N
• Topological: 52.9
• Monoisotopic Mass: 138.02294089
• Synonyms: 1239510-82-7, 5-Fluoro-6-oxo-1,6-dihydropyridine-2-carbonitrile, 5-fluoro-6-hydroxypicolinonitrile, 5-Fluoro-6-hydroxypyridine-2-carbonitrile, 5-Fluoro-1,6-dihydro-6-oxo-2-pyridinecarbonitrile, 2-Pyridinecarbonitrile, 5-fluoro-1,6-dihydro-6-oxo-, 5-fluoro-6-oxo-1H-pyridine-2-carbonitrile, 6-cyano-3-fluoro-2-hydroxypyridine, MFCD28768731, Olutasidenib Impurity 32, SCHEMBL17603120, ONPYRZSDSGLGKI-UHFFFAOYSA-N, CPD2500-A3?, ARD193609, AKOS032949530, AT36437, AC-31579, 5-Fluoro-6-hydroxy-pyridine-2-carbonitrile, DB-139736, 2-Pyridinecarbonitrile,5-fluoro-1,6-dihydro-6-oxo-

Application

5-Fluoro-6-oxo-1,6-dihydropyridine-2-carbonitrile serves as a key building block in the synthesis of fluorinated pyridine derivatives, particularly in the development of kinase inhibitors and antiviral agents. Its reactive nitrile and keto groups enable facile derivatization for structure-activity relationship (SAR) studies. Researchers utilize this compound in palladium-catalyzed cross-coupling reactions to construct complex heterocyclic scaffolds. It is also employed in the preparation of fluorinated analogs for metabolic stability testing in drug discovery programs.

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