Cas no 2460494-42-0 (4-bromo-3-(methyl-d3)pyridine-2,5,6-d3)
2460494-42-0 structure
Product Name:4-bromo-3-(methyl-d3)pyridine-2,5,6-d3
CAS No:2460494-42-0
MF:C6H6BrN
MW:178.059510707855
CID:6825399
PubChem ID:172402528
Update Time:2025-02-28
4-bromo-3-(methyl-d3)pyridine-2,5,6-d3 Chemical and Physical Properties
Names and Identifiers
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- 2460494-42-0
- CS-23516
- 4-bromo-3-(methyl-d3)pyridine-2,5,6-d3
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- Inchi： 1S/C6H6BrN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3/i1D3,2D,3D,4D
- InChI Key： GYUAOSJIGMDMNJ-RLTMCGQMSA-N
- SMILES： BrC1C([2H])=C([2H])N=C([2H])C=1C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 177.00602Da
- Monoisotopic Mass: 177.00602Da
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 74.9
- 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: 1.9
- Topological Polar Surface Area: 12.9?2
4-bromo-3-(methyl-d3)pyridine-2,5,6-d3 Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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