Cas no 62566-65-8 (2(1H)-Pyridinone, 3,5-dihydroxy-)
62566-65-8 structure
Product Name:2(1H)-Pyridinone, 3,5-dihydroxy-
CAS No:62566-65-8
MF:C5H5NO3
MW:127.098101377487
CID:439958
PubChem ID:12307860
Update Time:2025-04-19
2(1H)-Pyridinone, 3,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone, 3,5-dihydroxy-
- 2(1H)-Pyridinone,3,5-dihydroxy-(9CI)
- 3,5-dihydroxy-1H-pyridin-2-one
- Pyridine-2,3,5-triol
- 62566-65-8
- CTK2B7197
- DTXSID70487041
- AKOS006357351
-
- Inchi： 1S/C5H5NO3/c7-3-1-4(8)5(9)6-2-3/h1-2,7-8H,(H,6,9)
- InChI Key： OBINQXYDORXSKL-UHFFFAOYSA-N
- SMILES： OC1C(NC=C(C=1)O)=O
Computed Properties
- Exact Mass: 127.02695
- Monoisotopic Mass: 127.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 204
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.56
2(1H)-Pyridinone, 3,5-dihydroxy- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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