Cas no 84596-24-7 (3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-5-phenyl-)
84596-24-7 structure
Product Name:3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-5-phenyl-
CAS No:84596-24-7
MF:C14H11ClN2
MW:242.703541994095
CID:666824
PubChem ID:13502853
Update Time:2025-04-19
3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-5-phenyl-
- 2-chloro-4,6-dimethyl-5-phenylpyridine-3-carbonitrile
- PLRMQQVJSUKPPS-UHFFFAOYSA-N
- 2-CHLORO-4,6-DIMETHYL-5-PHENYL-3-PYRIDINECARBONITRILE
- SCHEMBL11008493
- DTXSID10542385
- 84596-24-7
-
- Inchi： 1S/C14H11ClN2/c1-9-12(8-16)14(15)17-10(2)13(9)11-6-4-3-5-7-11/h3-7H,1-2H3
- InChI Key： PLRMQQVJSUKPPS-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(C)=C(C(C)=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 242.0610761g/mol
- Monoisotopic Mass: 242.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 303
- 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: 3.9
- Topological Polar Surface Area: 36.7?2
3-Pyridinecarbonitrile, 2-chloro-4,6-dimethyl-5-phenyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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