2(1H)-Pyridinone, 1-methyl-

• Formula: C₆H₇NO
• Molecular weight: 109.1259
• IUPAC Standard InChI: InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3 Copy

  
• IUPAC Standard InChIKey: DVVGIUUJYPYENY-UHFFFAOYSA-N Copy
• CAS Registry Number: 694-85-9
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2(1H)-Pyridone, 1-methyl-; N-Methyl-2-pyridone; 1-Methyl-1,2-dihydro-2-pyridinone; 1-Methyl-2(1H)-pyridinone; 1-Methyl-2(1H)-pyridone; 1-Methyl-2-pyridinone; 1-Methyl-2-pyridone; N-Methylpyridone; 1-Methyl-2-oxopyridine; NSC 9383; 1-Methyl-1H-pyridin-2-one; 1-methylpyridine-2-one
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Phase change data
  • Mass spectrum (electron ionization)
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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
B - John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

=

By formula: C₆H₇NO = C₆H₇NO

C₆H₆NO^- +  =

By formula: C₆H₆NO^- + H⁺ = C₆H₇NO

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₆H₇NO⁺ (ion structure unspecified)

Ionization energy determinations

De-protonation reactions

C₆H₆NO^- +  =

By formula: C₆H₆NO^- + H⁺ = C₆H₇NO

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Beak, Mueller, et al., 1974
Beak, P.; Mueller, D.S.; Lee, J., Equilibration studies. Determination of the enthalpy difference between methyltropic isomers from heats of methylation, J. Am. Chem. Soc., 1974, 96, 3867-3874. [all data]

Beak, Bonham, et al., 1968
Beak, P.; Bonham, J.; Lee, J.T., Jr., Equilibration studies. The energy differences for some six-membered heterocyclic methyl amide-imidate isomer paris, J. Am. Chem. Soc., 1968, 90, 1569-1582. [all data]

Beak and Bonham, 1966
Beak, P.; Bonham, J., Equilibration studies: the relative chemical binding energies of 2-methoxypyridine-n-methylpyrid-2-one and 4-methoxypyridine-N-methylpyrid-4-one, Chem. Commun., 1966, 631-632. [all data]

Gronert, Feng, et al., 2000
Gronert, S.; Feng, W.Y.; Chew, F.; Wu, W.M., The gas phase acid/base properties of 1,3,-dimethyluracil, 1-methyl-2-pyridone, and 1-methyl-4-pyridone: relevance to the mechanism of orotidine-5 '-monophosphate decarboxylase, Int. J. Mass Spectrom., 2000, 196, 251-258, https://doi.org/10.1016/S1387-3806(99)00191-8 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Dreier, Becher, et al., 1981
Dreier, C.; Becher, J.; Frandsen, E.G.; Henriksen, L., Pyridinethiones - V. Spectroscopic investigation and electronic structure of 3-formyl-2(1H)-pyridones,-thiones and -selones, Tetrahedron, 1981, 37, 2663. [all data]

Cook, El-Abbady, et al., 1977
Cook, M.J.; El-Abbady, S.; Katritzky, A.R.; Guimon, C.; Pfister-Guillouzo, G., Photoelectron spectra of hydroxy- and mercapto-pyridines and models of fixed structure, J. Chem. Soc. Perkin Trans. 2, 1977, 1652. [all data]

Gronneberg and Undheim, 1972
Gronneberg, T.; Undheim, K., Mass spectrometry of onium compounds. XI: ionization potentials of hydroxy and mercapto pyridines, Org. Mass Spectrom., 1972, 6, 823. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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