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CAS 1417334-56-5

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2-Chloro-5-fluoro-6-[(phenylmethyl)amino]-3-pyridinecarboxylic acid

Description:
2-Chloro-5-fluoro-6-[(phenylmethyl)amino]-3-pyridinecarboxylic acid is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with a carboxylic acid group, a chlorine atom, and a fluorine atom, as well as a phenylmethylamino group. This compound is typically classified as an aromatic heterocyclic compound due to the presence of the nitrogen atom in the pyridine ring. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as the presence of halogens and an amino group can influence biological activity and solubility. The compound's properties, such as solubility, melting point, and reactivity, would be influenced by the functional groups present, making it a subject of interest for further research in drug design and synthesis. Additionally, the presence of both electron-withdrawing (chlorine and fluorine) and electron-donating (amino) groups can affect its electronic properties, potentially impacting its interactions with biological targets.
Formula:C13H10ClFN2O2
InChI:InChI=1S/C13H10ClFN2O2/c14-11-9(13(18)19)6-10(15)12(17-11)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H,18,19)
InChI key:InChIKey=CYTNMADPMXZEBB-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C(Cl)N=C(NCC2=CC=CC=C2)C(F)=C1
Synonyms:
  • 3-Pyridinecarboxylic acid, 2-chloro-5-fluoro-6-[(phenylmethyl)amino]-
  • 2-Chloro-5-fluoro-6-[(phenylmethyl)amino]-3-pyridinecarboxylic acid
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