Abstract PDD (pyridine-2, 6-dicarbonyl dichloride) has been explored both experimentally
and theoretically. Pyridines and their analogues are heterocyclic nitrogenous compounds …

Amino-6-methylpyridine (2-AMP) was investigated experimentally using FT-IR, 1H, NMR,
and UV-Vis spectra, as well as theoretically using DFT calculations. The quantum …

Carbon-carbon coupling play a vital role in the synthetic field of organic chemistry. Two
novel pyridine derivatives: 3-bromo-5-(2, 5-difluorophenyl) pyridine (1) and 3, 5-bis …

Spectroscopic profiling in terms of FT-IR, FT-Raman, UV–vis and NMR in addition to
reactivity study by density functional theory (DFT) and molecular dynamics (MD) simulations …

Abstract Pyridine-2, 6-dicarboxylic acid (2, 6-DPA), investigated experimental-
spectroscopically and quantum chemically. The computational investigation was done using …

The most stable, optimized structure of the 2-amino-3-chloro-5-trifluoromethyl pyridine
(ACTP) molecule was predicted by the density functional theory calculations using the …

This research focuses on the synthesis, X-ray crystallography, spectral characterization, and
the influence of solvents on electronic molecular properties, vibrational analysis, and …

Initially, we have done the conformational analysis, total of 564 confirmations were
available, we noted highest energy value is 56.499 and the ring energy is 67.982. After …

Conformational and molecular docking analysis of 2-acetylamino-5-bromo-6-methylpyridine
molecule was carried out and the vibrational spectral analysis was also carried out using …

Quinoline derivatives are widely utilized in a variety of applications, including medicine and
materials. In this work our previously developed bioactive fluorine-containing 2, 3 …