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In this work, we review the theoretical/experimental study progress in the classic case of a tautomeric equilibrium, 2-pyridone/2-hydroxypyridine (2-PY/2-HY), as well as original research on tautomerization reaction energetics. Our work sheds light on a matter of investigation which lasts more than a century, a challenge to the reliability of the quantum methods, especially to DFT. Our results reveal the responsible for the notable contrast between the relative stability order estimation bydoi:10.26434/chemrxiv.7699952.v1 fatcat:2owmpq3tfrcajfwzyhrg6hzm2e