Cas no 31872-58-9 (4-Pyridinol,3,5-dinitro-, 1-oxide)
31872-58-9 structure
Product Name:4-Pyridinol,3,5-dinitro-, 1-oxide
CAS No:31872-58-9
MF:C5H3N3O6
MW:201.093820810318
CID:310730
PubChem ID:270903
Update Time:2025-04-19
4-Pyridinol,3,5-dinitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinol,3,5-dinitro-, 1-oxide
- NSC114062
- CHEMBL1733282
- 1-hydroxy-3,5-dinitropyridin-4-one
- SMR001573950
- 4-hydroxyl-3,5-dinitropyridine-N-oxide
- AKOS015966492
- 3,5-DINITRO-4-HYDROXYPYRIDINE N-OXIDE
- MLS002706547
- 31872-58-9
- NSC-114062
- 1-hydroxy-3,5-dinitropyridin-4(1h)-one
-
- Inchi： 1S/C5H3N3O6/c9-5-3(7(11)12)1-6(10)2-4(5)8(13)14/h1-2,10H
- InChI Key： YCLPBCRIRBKPHZ-UHFFFAOYSA-N
- SMILES： ON1C=C(C(C(=C1)[N+](=O)[O-])=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 201.00219
- Monoisotopic Mass: 201.00218482g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 338
- 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: -0.1
- Topological Polar Surface Area: 132?2
Experimental Properties
- PSA: 126.82
4-Pyridinol,3,5-dinitro-, 1-oxide Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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