A series of metal complexes of Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized with a new azo dye ligand 4- (2’,4’-dihydroxy-5’-carboxyphenylazo)antipyrine derived from 4-aminoantipyrine and 2,4-dihydroxybenzoic Acid. The metal complexes along with the ligand have been characterized by analytical, molar conductance, magnetic susceptibility measurement, IR, NMR, electronic, esr , mass spectra and thermal study. The analytical, spectral data and computational study predict tetradentate nature of the ligand, distorted octahedral geometry for Co(II), Ni(II), Cu(II) complexes and tetrahedral geometry for Zn(II) complex. Computational study of the ligand and the metal complexes has been made to determine the geometrical parameters and the global reactive descriptors. The XRD(powder pattern) indicates triclinic crystal system for the Cu(II) complex and cubic crystal system for the Ni(II) complex, thermal study reveals thermal stability of the complexes and the fluorescence study predicts photoactive properties of the azo compounds. The SEM image of the Zn(II) complex provides its information about its surface morphology. The Biological study indicates the antibacterial properties and DNA binding activity of the newly synthesized compounds.