Cas no 887593-99-9 (3-Pyridinepropanenitrile,2-bromo-b-oxo-)
887593-99-9 structure
Product Name:3-Pyridinepropanenitrile,2-bromo-b-oxo-
CAS No:887593-99-9
MF:C8H5BrN2O
MW:225.042100667953
CID:706771
PubChem ID:53435640
Update Time:2025-04-19
3-Pyridinepropanenitrile,2-bromo-b-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinepropanenitrile,2-bromo-b-oxo-
- 2-BROMO-BETA-OXO-3-PYRIDINEPROPANENITRILE
- 3-(2-bromopyridin-3-yl)-3-oxopropanenitrile
- 3-(2-BROMO-PYRIDIN-3-YL)-3-OXO-PROPIONITRILE
- DTXSID50700760
- FT-0604232
- 887593-99-9
-
- MDL： MFCD06656809
- Inchi： 1S/C8H5BrN2O/c9-8-6(2-1-5-11-8)7(12)3-4-10/h1-2,5H,3H2
- InChI Key： CPEWMXIVGMLEAQ-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CN=1)C(CC#N)=O
Computed Properties
- Exact Mass: 223.95853g/mol
- Monoisotopic Mass: 223.95853g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 1.4
- Topological Polar Surface Area: 53.8?2
3-Pyridinepropanenitrile,2-bromo-b-oxo- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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