Yasarawan, Nuttawisit; Thipyapong, Khajadpai; Ruangpornvisuti, Vithaya published an article about the compound: 4-Hydroxypicolinic acid( cas:22468-26-4,SMILESS:O=C(O)C1=NC=CC(O)=C1 ).Computed Properties of C6H5NO3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:22468-26-4) through the article.
Comparative study on kinetics and thermodn. of proton-related reactions of hydroxypicolinic acids was carried out using d. functional theory associated with polarizable continuum model of solvation. Mechanisms for such reactions were established. Both 3- and 4-hydroxypicolinic acid prefer zwitterionic forms to normal forms. For 6-hydroxypicolinic acid, keto forms are highly preferred. The pKa values and UV/visible bands predicted for some picolinic compounds agree with the experiment 5-Hydroxypicolinate shows the highest preference for complexation with copper(II) but 6-hydroxypolinate gives rise to the most stable complex. Kinetic stability of the trans-isomer relative to the cis-isomer of the complexes was evaluated. UV/visible spectral data predicted for some picolinate complexes are also in agreement with the previous experiment
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