Cas no 1195178-79-0 (1-(5-Bromopyridin-3-yl)cyclopentanecarbonitrile)
1195178-79-0 structure
Product Name:1-(5-Bromopyridin-3-yl)cyclopentanecarbonitrile
CAS No:1195178-79-0
MF:C11H11BrN2
MW:251.122441530228
CID:2120249
Update Time:2023-08-04
1-(5-Bromopyridin-3-yl)cyclopentanecarbonitrile Chemical and Physical Properties
Names and Identifiers
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- 1-(5-bromopyridin-3-yl)cyclopentanecarbonitrile
- BOGIGDAJZYESOM-UHFFFAOYSA-N
- 1-(5-Bromopyridin-3-yl)cyclopentanecarbonitrile
-
- Inchi: 1S/C11H11BrN2/c12-10-5-9(6-14-7-10)11(8-13)3-1-2-4-11/h5-7H,1-4H2
- InChI Key: BOGIGDAJZYESOM-UHFFFAOYSA-N
- SMILES: BrC1=CN=CC(=C1)C1(C#N)CCCC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 249
- Topological Polar Surface Area: 36.7
1-(5-Bromopyridin-3-yl)cyclopentanecarbonitrile Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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