A novel molecular coordination compound, [V4IVO4(DPA)4(OH2)4]∙2H2O, 1, and known [VIVO(DPA)(OH2)2].2H2O compound, 2, were obtained from V2O5 and 2,6-pyridine dicarboxylic acid (H2DPA) reactions with water or ethyl alcohol by using hydro/solvothermal synthetic methods. 1 was fully characterized by IR spectroscopy, manganometric titration, magnetic susceptibility, thermogravimetric and single crystal XRD analyses. The single-crystal XRD analysis revealed that it was a molecular consist of four-nuclear coordination compound. DPA ligand in 1 acted chelating and bridging modes through carboxylate groups. Four V(IV) ions exhibit a distorted octahedral coordination geometry {VNO5}. 1 and 2 were investigated for antimicrobial activity. The results of antimicrobial activity show that they have an antimicrobial effect against the microorganisms P. aeruginosa, E. coli, S. aureus, E. faecalis, L. monocytogenes, B.subtilis, C. albicans.