2(1H)-Pyridinone
- Formula: C5H5NO
- Molecular weight: 95.0993
- IUPAC Standard InChIKey: UBQKCCHYAOITMY-UHFFFAOYSA-N
- CAS Registry Number: 142-08-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Other names: α-Pyridone; 2-Hydroxypyridine; 2(1H)-Pyridone; 2-Oxopyridine; 2-Pyridinol; 2-Pyridinone; 2-Pyridone; 2-Pyridol; Pyridone-2; 1-Hydroxy-2-pyridine; 1H-Pyridin-2-one
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Gas phase ion energetics data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes
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:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.448 ± 0.001 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.4479 ± 0.0006 | TE | Ozeki, Cockett, et al., 1995 | LL |
9.0 ± 0.1 | EI | Stefanovic and Grutzmacher, 1974 | LLK |
8.62 ± 0.03 | PE | Cook, El-Abbady, et al., 1977 | Vertical value; LLK |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-4625 |
NIST MS number | 227743 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Burton, et al., 1972 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 16234 |
Instrument | unknown |
Melting point | 107-108 |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 1094. | Vazques, Aimar, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min; Tend: 200. C |
Capillary | ZB-5 | 1095. | Vazquez, Demmel, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen, 40. C @ 5. min, 5. K/min, 200. C @ 5. min |
Capillary | DB-1 | 1094. | Chen and Ho, 1999 | 60. m/0.32 mm/1. μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 1094. | Vazques, Aimar, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
Capillary | ZB-5 | 1094. | Vazquez, Demmel, et al., 2011 | 30. m/0.25 mm/0.25 μm, Nitrogen; Program: not specified |
References
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ozeki, Cockett, et al., 1995
Ozeki, H.; Cockett, M.C.R.; Okuyama, K.; Takahashi, M.; Kumura, K.,
Structural isomers and tautomerism of 2-hydroxypyridine in the cation ground state studied by zero kinetic energy (ZEKE) photoelectron spectroscopy,
J. Phys. Chem., 1995, 99, 8608. [all data]
Stefanovic and Grutzmacher, 1974
Stefanovic, D.; Grutzmacher, H.F.,
The ionisation potential of some substituted pyridines,
Org. Mass Spectrom., 1974, 9, 1052. [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]
Burton, et al., 1972
Burton, A.G., et al.,
J. Chem. Soc., Perkin Trans. II, 1972, 1953. [all data]
Vazques, Aimar, et al., 2011
Vazques, A.M.; Aimar, M.L.; Demmel, G.I.; Criado, S.G.; Ruiz, G.M.; Cantero, J.J.; Rossi, L.I.; Velasco, M.I.,
Determination of volatile organic compounds of Tagetes argentina Cabrera (asteraceae) using HS-SPME analysis,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 5, 463-469. [all data]
Vazquez, Demmel, et al., 2011
Vazquez, A.M.; Demmel, G.I.; Criado, S.G.; Aimar, M.L.; Cantero, J.; Rossi, L.I.; Velasco, M.I.,
Phytochemistry of TAgetes minuta L. (Asteraceae) from Cordoba, Argentina: comparative study between essential oil and HS-SPME analyses,
Boletin Latinoamericano y del Caribe Plantas Medicinales y Aromaticas, 2011, 10, 4, 351-362. [all data]
Chen and Ho, 1999
Chen, J.; Ho, C.-T.,
Comparison of volatile generation in serine/threonine/glutamine-ribose/glucose/fructose model systems,
J. Agric. Food Chem., 1999, 47, 2, 643-647, https://doi.org/10.1021/jf980771a
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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