Cas no 2241872-55-7 (6-bromopyridin-3,4,5-d3-2-amine)
2241872-55-7 structure
Product Name:6-bromopyridin-3,4,5-d3-2-amine
CAS No:2241872-55-7
MF:C5H5BrN2
MW:176.029084920883
CID:6821257
PubChem ID:169448404
Update Time:2025-03-02
6-bromopyridin-3,4,5-d3-2-amine Chemical and Physical Properties
Names and Identifiers
-
- 2241872-55-7
- CS-22755
- 6-BROMOPYRIDIN-3,4,5-D3-2-AMINE
- AT40173
- 6-bromopyridin-3,4,5-d3-2-amine
-
- Inchi： 1S/C5H5BrN2/c6-4-2-1-3-5(7)8-4/h1-3H,(H2,7,8)/i1D,2D,3D
- InChI Key： BKLJUYPLUWUEOQ-CBYSEHNBSA-N
- SMILES： BrC1=C([2H])C([2H])=C([2H])C(N)=N1
Computed Properties
- Exact Mass: 174.98244Da
- Monoisotopic Mass: 174.98244Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 76.8
- 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: 1.5
- Topological Polar Surface Area: 38.9?2
6-bromopyridin-3,4,5-d3-2-amine Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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