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CAS 945016-63-7

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3-(2-Chloro-4-pyrimidinyl)-1H-indole

Description:
3-(2-Chloro-4-pyrimidinyl)-1H-indole, identified by its CAS number 945016-63-7, is a chemical compound that features a fused indole and pyrimidine structure, which contributes to its potential biological activity. This compound typically exhibits characteristics such as moderate to high lipophilicity due to its aromatic rings, which can influence its solubility and permeability in biological systems. The presence of the chloro substituent on the pyrimidine ring may enhance its reactivity and interaction with biological targets. Additionally, the indole moiety is known for its role in various pharmacological activities, including anti-cancer and anti-inflammatory properties. The compound's molecular structure suggests potential for hydrogen bonding and π-π stacking interactions, which are significant in drug design and molecular recognition. Overall, 3-(2-Chloro-4-pyrimidinyl)-1H-indole represents a class of compounds that may be of interest in medicinal chemistry and pharmacology, warranting further investigation into its biological effects and therapeutic applications.
Formula:C12H8ClN3
InChI:InChI=1S/C12H8ClN3/c13-12-14-6-5-11(16-12)9-7-15-10-4-2-1-3-8(9)10/h1-7,15H
InChI key:InChIKey=YJGKIMCJZOZIOQ-UHFFFAOYSA-N
SMILES:ClC=1N=C(C=2C=3C(NC2)=CC=CC3)C=CN1
Synonyms:
  • 3-(2-Chloro-4-pyrimidinyl)-1H-indole
  • 1H-Indole, 3-(2-chloro-4-pyrimidinyl)-
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