CAS 118419-97-9

2-Propenoic acid, 3-(5-chloro-3-pyridinyl)-, (E)-

Description:

2-Propenoic acid, 3-(5-chloro-3-pyridinyl)-, (E)-, also known by its CAS number 118419-97-9, is an organic compound characterized by its propenoic acid backbone with a pyridine ring substituted at the 3-position. This compound features a double bond between the first and second carbon atoms of the propenoic acid, indicating its classification as an unsaturated carboxylic acid. The presence of the 5-chloro-3-pyridinyl group introduces notable polar characteristics, which can influence its solubility and reactivity. Typically, compounds of this nature exhibit moderate to high reactivity due to the presence of the carboxylic acid functional group, making them useful in various chemical reactions, including polymerization and as intermediates in organic synthesis. The (E)- configuration denotes the specific geometric arrangement of substituents around the double bond, which can affect the compound's biological activity and interaction with other molecules. Overall, this compound's unique structure and functional groups make it of interest in medicinal chemistry and material science.

Formula: C₈H₆ClNO₂

InChI: InChI=1S/C8H6ClNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h1-5H,(H,11,12)/b2-1+

InChI key: InChIKey=ISCOQSRIEWMNOT-OWOJBTEDSA-N

SMILES: C(=C/C(O)=O)\C=1C=C(Cl)C=NC1

Synonyms:

• 2-Propenoic acid, 3-(5-chloro-3-pyridinyl)-, (E)-