Cas no 89508-51-0 (Pyrimidine, 4,6-dichloro-2-(1-oxido-3-pyridinyl)-)
89508-51-0 structure
Product Name:Pyrimidine, 4,6-dichloro-2-(1-oxido-3-pyridinyl)-
CAS No:89508-51-0
MF:C9H5Cl2N3O
MW:242.061499357224
CID:598309
PubChem ID:20165533
Update Time:2025-04-19
Pyrimidine, 4,6-dichloro-2-(1-oxido-3-pyridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4,6-dichloro-2-(1-oxido-3-pyridinyl)-
- 4,6-dichloro-2-(1-oxidopyridin-1-ium-3-yl)pyrimidine
- SCHEMBL10751654
- 4,6-Dichloro-2-(1-oxo-1lambda~5~-pyridin-3-yl)pyrimidine
- DTXSID20603234
- 89508-51-0
-
- Inchi： 1S/C9H5Cl2N3O/c10-7-4-8(11)13-9(12-7)6-2-1-3-14(15)5-6/h1-5H
- InChI Key： OGRKYUSADBXJLE-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(C2=CC=C[N+](=C2)[O-])=N1)Cl
Computed Properties
- Exact Mass: 240.9809672g/mol
- Monoisotopic Mass: 240.9809672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 210
- 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: 1.7
- Topological Polar Surface Area: 51.2?2
Pyrimidine, 4,6-dichloro-2-(1-oxido-3-pyridinyl)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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