CAS 1638760-45-8

5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid

Description:

5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid is a heterocyclic compound characterized by its complex bicyclic structure, which incorporates both pyrrole and pyrimidine moieties. The presence of an iodine atom at the 5-position and a methyl group at the 7-position contributes to its unique reactivity and potential biological activity. This compound features a carboxylic acid functional group, which enhances its solubility in polar solvents and may influence its interaction with biological targets. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to act as a scaffold for drug design. Additionally, the compound's heteroatoms (nitrogen and oxygen) can participate in hydrogen bonding, which is crucial for molecular recognition processes. Overall, 5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid represents a valuable compound for further research in organic synthesis and drug discovery.

Formula: C₈H₆IN₃O₂

InChI: InChI=1S/C8H6IN3O2/c1-12-3-5(9)4-2-10-6(8(13)14)11-7(4)12/h2-3H,1H3,(H,13,14)

InChI key: InChIKey=XVJQTBVWLVPNEY-UHFFFAOYSA-N

SMILES: CN1C=2C(C(I)=C1)=CN=C(C(O)=O)N2

Synonyms:

• 5-Iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid
• 7H-Pyrrolo[2,3-d]pyrimidine-2-carboxylic acid, 5-iodo-7-methyl-