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CAS 898771-80-7

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Ethyl 2-[(5-bromo-3-pyridinyl)carbonyl]benzoate

Description:
Ethyl 2-[(5-bromo-3-pyridinyl)carbonyl]benzoate, with the CAS number 898771-80-7, is an organic compound characterized by its ester functional group and a pyridine ring. This compound features a benzoate moiety, which contributes to its aromatic properties, and a bromo substituent on the pyridine ring, enhancing its reactivity and potential biological activity. The presence of the ethyl group indicates that it is an ester, which typically exhibits moderate volatility and solubility in organic solvents. The compound may display interesting pharmacological properties due to the combination of the aromatic benzoate and the heterocyclic pyridine, which can influence its interaction with biological targets. Additionally, the bromine atom can serve as a site for further chemical modifications, making it a versatile intermediate in synthetic organic chemistry. Overall, this compound's unique structure suggests potential applications in medicinal chemistry and materials science, although specific biological activities would require further investigation.
Formula:C15H12BrNO3
InChI:InChI=1S/C15H12BrNO3/c1-2-20-15(19)13-6-4-3-5-12(13)14(18)10-7-11(16)9-17-8-10/h3-9H,2H2,1H3
InChI key:InChIKey=VKPFYNSPTBMRPC-UHFFFAOYSA-N
SMILES:C(=O)(C1=C(C(OCC)=O)C=CC=C1)C=2C=C(Br)C=NC2
Synonyms:
  • Ethyl 2-[(5-bromo-3-pyridinyl)carbonyl]benzoate
  • Benzoic acid, 2-[(5-bromo-3-pyridinyl)carbonyl]-, ethyl ester
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