Cas no 2645413-00-7 (3-bromo-2-fluoro-5-(methyl-d3)pyridin-6-d-4-amine)
2645413-00-7 structure
Product Name:3-bromo-2-fluoro-5-(methyl-d3)pyridin-6-d-4-amine
CAS No:2645413-00-7
MF:C6H6BrFN2
MW:209.052290439606
CID:6825917
PubChem ID:172402169
Update Time:2025-02-26
3-bromo-2-fluoro-5-(methyl-d3)pyridin-6-d-4-amine Chemical and Physical Properties
Names and Identifiers
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- 3-bromo-2-fluoro-5-(methyl-d3)pyridin-6-d-4-amine
- 2645413-00-7
- CS-24076
-
- Inchi： 1S/C6H6BrFN2/c1-3-2-10-6(8)4(7)5(3)9/h2H,1H3,(H2,9,10)/i1D3,2D
- InChI Key： OPSDKXYNUWZMIR-MZCSYVLQSA-N
- SMILES： BrC1=C(N=C([2H])C(C([2H])([2H])[2H])=C1N)F
Computed Properties
- Exact Mass: 207.99495Da
- Monoisotopic Mass: 207.99495Da
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 122
- 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: 1.7
- Topological Polar Surface Area: 38.9?2
3-bromo-2-fluoro-5-(methyl-d3)pyridin-6-d-4-amine Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
2645413-00-7 (3-bromo-2-fluoro-5-(methyl-d3)pyridin-6-d-4-amine) Related Products
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