Cas no 61830-07-7 (2-Pyridinecarbonitrile, 3,5-dibromo-, 1-oxide)
61830-07-7 structure
Product Name:2-Pyridinecarbonitrile, 3,5-dibromo-, 1-oxide
CAS No:61830-07-7
MF:C6H2Br2N2O
MW:277.900879383087
CID:465152
PubChem ID:12361199
Update Time:2025-04-19
2-Pyridinecarbonitrile, 3,5-dibromo-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarbonitrile, 3,5-dibromo-, 1-oxide
- 3,5-dibromo-1-oxidopyridin-1-ium-2-carbonitrile
- 3,5-Dibromo-1-oxo-1lambda~5~-pyridine-2-carbonitrile
- 61830-07-7
- DTXSID50494076
-
- Inchi： 1S/C6H2Br2N2O/c7-4-1-5(8)6(2-9)10(11)3-4/h1,3H
- InChI Key： WCRLCMAXVKEOFR-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C[N+](=C1C#N)[O-])Br
Computed Properties
- Exact Mass: 275.85336
- Monoisotopic Mass: 275.85339g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 190
- 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: 1.3
- Topological Polar Surface Area: 49.2?2
Experimental Properties
- PSA: 50.73
2-Pyridinecarbonitrile, 3,5-dibromo-, 1-oxide Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
61830-07-7 (2-Pyridinecarbonitrile, 3,5-dibromo-, 1-oxide) Related Products
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