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CAS 885277-05-4

:

2-(Hexahydro-1H-azepin-1-yl)-4-pyridinecarboxylic acid

Description:
2-(Hexahydro-1H-azepin-1-yl)-4-pyridinecarboxylic acid, identified by its CAS number 885277-05-4, is a chemical compound that features a pyridine ring substituted with a carboxylic acid group and a hexahydroazepine moiety. This structure imparts unique characteristics, including potential biological activity due to the presence of both the pyridine and the azepine components, which can influence its interaction with biological targets. The compound is likely to exhibit moderate solubility in polar solvents due to the carboxylic acid group, while the cyclic amine structure may contribute to its ability to form hydrogen bonds. Additionally, the presence of the azepine ring suggests potential for conformational flexibility, which can affect its reactivity and binding properties. Such compounds are often of interest in medicinal chemistry for their potential therapeutic applications, particularly in the development of pharmaceuticals targeting neurological or psychiatric disorders. However, specific properties such as melting point, boiling point, and spectral data would require experimental determination or literature reference for precise characterization.
Formula:C12H16N2O2
InChI:InChI=1S/C12H16N2O2/c15-12(16)10-5-6-13-11(9-10)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,15,16)
InChI key:InChIKey=UYWSWXXMUJAYFS-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C(N=CC1)N2CCCCCC2
Synonyms:
  • 2-(Azepan-1-yl)pyridine-4-carboxylic acid
  • 2-(Hexahydro-1H-azepin-1-yl)-4-pyridinecarboxylic acid
  • 2-Azepan-1-Yl-Isonicotinic Acid Hydrochloride
  • 2-Azepan-1-yl-isonicotinic acid
  • 4-Pyridinecarboxylic acid, 2-(hexahydro-1H-azepin-1-yl)-
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