Cas no 953414-71-6 (5-Bromo-3-(phenylethynyl)pyridin-2-amine)
953414-71-6 structure
Product Name:5-Bromo-3-(phenylethynyl)pyridin-2-amine
CAS No:953414-71-6
MF:C13H9BrN2
MW:273.127961874008
CID:1083018
PubChem ID:23643605
Update Time:2025-04-20
5-Bromo-3-(phenylethynyl)pyridin-2-amine Chemical and Physical Properties
Names and Identifiers
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- 5-Bromo-3-(phenylethynyl)pyridin-2-amine
- 5-Bromo-3-(phenylethynyl)-2-pyridinamine
- 953414-71-6
- 5-bromo-3-(2-phenylethynyl)pyridin-2-amine
- DB-368479
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- Inchi： 1S/C13H9BrN2/c14-12-8-11(13(15)16-9-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H2,15,16)
- InChI Key： PGXQOWSVIDMNLS-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C(C#CC2C=CC=CC=2)=C1)N
Computed Properties
- Exact Mass: 271.99491g/mol
- Monoisotopic Mass: 271.99491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 3.2
- Topological Polar Surface Area: 38.9?2
5-Bromo-3-(phenylethynyl)pyridin-2-amine Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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