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CAS 171178-47-5

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6-Chloropyrido[3,4-d]pyrimidin-4(3H)-one

Description:
6-Chloropyrido[3,4-d]pyrimidin-4(3H)-one is a heterocyclic compound characterized by its fused pyridine and pyrimidine rings, which contribute to its unique chemical properties. The presence of a chlorine atom at the 6-position of the pyridine ring enhances its reactivity and solubility in various solvents. This compound typically exhibits a solid state at room temperature and is often used in medicinal chemistry due to its potential biological activity. Its structure allows for various functionalization, making it a valuable intermediate in the synthesis of pharmaceuticals and agrochemicals. The compound's molecular framework can engage in hydrogen bonding and π-π stacking interactions, which are significant in biological systems. Additionally, it may exhibit fluorescence properties, making it useful in certain analytical applications. As with many heterocycles, its stability and reactivity can be influenced by the presence of substituents, and it may undergo various chemical reactions such as nucleophilic substitutions or electrophilic additions. Safety data should be consulted for handling and usage, as with any chemical substance.
Formula:C7H4ClN3O
InChI:InChI=1S/C7H4ClN3O/c8-6-1-4-5(2-9-6)10-3-11-7(4)12/h1-3H,(H,10,11,12)
InChI key:InChIKey=BBPUOYYUBFLNML-UHFFFAOYSA-N
SMILES:O=C1C=2C(=CN=C(Cl)C2)NC=N1
Synonyms:
  • 6-chloropyrido[3,4-d]pyrimidin-4(1H)-one
  • 6-chloropyrido[3,4-d]pyrimidin-4(3H)-one
  • Pyrido[3,4-d]pyrimidin-4(1H)-one, 6-chloro-
  • pyrido[3,4-d]pyrimidin-4(3H)-one, 6-chloro-
  • 6-Chloro-3H-pyrido[3,4-d]pyrimidin-4-one
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