Cas no 36625-50-0 (Pyridine, 2-methyl-5-nitro-, 1-oxide)
36625-50-0 structure
Product Name:Pyridine, 2-methyl-5-nitro-, 1-oxide
CAS No:36625-50-0
MF:C6H6N2O3
MW:154.12344121933
CID:1476295
PubChem ID:12705309
Update Time:2025-04-21
Pyridine, 2-methyl-5-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 2-methyl-5-nitro-, 1-oxide
- 2-methyl-5-nitro-1-oxidopyridin-1-ium
- AKOS006332468
- 2-Methyl-5-nitropyridine 1-oxide
- 5-nitro-2-picoline-N-oxide
- 36625-50-0
- 2-Methyl-5-nitropyridine N-oxide
- SCHEMBL11391307
- DTXSID80507466
- N-oxide-2-methyl-5-nitropridine
- GNHIKYLESVCDNF-UHFFFAOYSA-N
- 2-Methyl-5-nitro-1-oxo-1lambda~5~-pyridine
- DB-083235
-
- Inchi： 1S/C6H6N2O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3
- InChI Key： GNHIKYLESVCDNF-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=C(C=CC=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 154.03788
- Monoisotopic Mass: 154.03784206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 156
- 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: 71.3?2
Experimental Properties
- PSA: 70.08
Pyridine, 2-methyl-5-nitro-, 1-oxide 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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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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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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