Cas no 52809-57-1 (2(1H)-Pyridinone, 4-hydroxy-3-nitroso-)
52809-57-1 structure
Product Name:2(1H)-Pyridinone, 4-hydroxy-3-nitroso-
CAS No:52809-57-1
MF:C5H4N2O3
MW:140.09686088562
CID:358734
PubChem ID:135798748
Update Time:2025-04-19
2(1H)-Pyridinone, 4-hydroxy-3-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone, 4-hydroxy-3-nitroso-
- 3-hydroxyimino-1H-pyridine-2,4-dione
- 3-(Hydroxyimino)pyridine-2,4(1H,3H)-dione
- SCHEMBL13911694
- 52809-57-1
- 2,4-dihydroxy-3-nitrosopyridine
- DTXSID70710487
- SCHEMBL3283067
-
- Inchi： 1S/C5H4N2O3/c8-3-1-2-6-5(9)4(3)7-10/h1-2H,(H2,6,8,9)
- InChI Key： SKLDEGYSXDTKMR-UHFFFAOYSA-N
- SMILES： OC1C=CNC(C=1N=O)=O
Computed Properties
- Exact Mass: 140.02222
- Monoisotopic Mass: 140.022
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 241
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: -0.3
- Topological Polar Surface Area: 78.8A^2
Experimental Properties
- PSA: 78.76
2(1H)-Pyridinone, 4-hydroxy-3-nitroso- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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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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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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