Cas no 84596-47-4 (3-Pyridinecarbonitrile, 2-chloro-5-methyl-6-phenyl-)
84596-47-4 structure
Product Name:3-Pyridinecarbonitrile, 2-chloro-5-methyl-6-phenyl-
CAS No:84596-47-4
MF:C13H9ClN2
MW:228.676961660385
CID:666803
PubChem ID:20402534
Update Time:2025-04-19
3-Pyridinecarbonitrile, 2-chloro-5-methyl-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 2-chloro-5-methyl-6-phenyl-
- 2-chloro-5-methyl-6-phenylpyridine-3-carbonitrile
- 84596-47-4
- DTXSID00606809
- AKOS010924344
-
- Inchi： 1S/C13H9ClN2/c1-9-7-11(8-15)13(14)16-12(9)10-5-3-2-4-6-10/h2-7H,1H3
- InChI Key： GMJILMAHIKIQIH-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C=C(C)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 228.0454260g/mol
- Monoisotopic Mass: 228.0454260g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 277
- 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: 3.6
- Topological Polar Surface Area: 36.7?2
3-Pyridinecarbonitrile, 2-chloro-5-methyl-6-phenyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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