Cas no 22422-47-5 (3-Chloro-1-methyl-5-nitro-1H-pyridin-2-one)
22422-47-5 structure
Product Name:3-Chloro-1-methyl-5-nitro-1H-pyridin-2-one
CAS No:22422-47-5
MF:C6H5ClN2O3
MW:188.56850028038
CID:6838770
PubChem ID:86703106
Update Time:2025-03-26
3-Chloro-1-methyl-5-nitro-1H-pyridin-2-one Chemical and Physical Properties
Names and Identifiers
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- 22422-47-5
- DB-122651
- CPJBHWRJBWUIKP-UHFFFAOYSA-N
- 3-chloro-1-methyl-5-nitropyridin-2(1H)-one
- SCHEMBL14994695
- SCHEMBL19113857
- 3-chloro-1-methyl-5-nitro-1H-pyridin-2-one
- 3-Chloro-1-methyl-5-nitro-1H-pyridin-2-one
-
- Inchi： 1S/C6H5ClN2O3/c1-8-3-4(9(11)12)2-5(7)6(8)10/h2-3H,1H3
- InChI Key： CPJBHWRJBWUIKP-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CN(C)C1=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 187.9988697Da
- Monoisotopic Mass: 187.9988697Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 302
- 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: 0.8
- Topological Polar Surface Area: 66.1?2
3-Chloro-1-methyl-5-nitro-1H-pyridin-2-one Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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