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CAS 1079-47-6

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1H-Indazole-3-carboxylic acid, 5-iodo-, methyl ester

Description:
1H-Indazole-3-carboxylic acid, 5-iodo-, methyl ester is an organic compound characterized by its indazole core, which is a bicyclic structure containing a five-membered ring fused to a six-membered ring. The presence of a carboxylic acid group at the 3-position and a methyl ester at the same position indicates that it can participate in various chemical reactions, such as esterification and hydrolysis. The iodine atom at the 5-position enhances its reactivity and can influence its biological activity, making it of interest in medicinal chemistry. This compound is typically used in research settings, particularly in the development of pharmaceuticals and agrochemicals. Its solubility properties may vary depending on the solvent, and it may exhibit moderate to high stability under standard laboratory conditions. Additionally, the compound's structure suggests potential for hydrogen bonding and π-π interactions, which can affect its physical properties and interactions with biological targets. Overall, 1H-Indazole-3-carboxylic acid, 5-iodo-, methyl ester is a versatile compound with significant implications in chemical research and development.
Formula:C9H7IN2O2
InChI:InChI=1S/C9H7IN2O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,1H3,(H,11,12)
InChI key:InChIKey=NTDHIBWHDCGFSK-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=2C(NN1)=CC=C(I)C2
Synonyms:
  • 1H-Indazole-3-carboxylic acid, 5-iodo-, methyl ester
  • Methyl 5-iodo-1H-indazole-3-carboxylate
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