Cas no 2256740-09-5 (5-bromo-4-(methyl-d3)pyridin-2-amine)
2256740-09-5 structure
Product Name:5-bromo-4-(methyl-d3)pyridin-2-amine
CAS No:2256740-09-5
MF:C6H7BrN2
MW:190.055665254593
CID:6826895
PubChem ID:172403618
Update Time:2025-03-02
5-bromo-4-(methyl-d3)pyridin-2-amine Chemical and Physical Properties
Names and Identifiers
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- 5-bromo-4-(methyl-d3)pyridin-2-amine
- 2256740-09-5
- CS-25102
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- Inchi： 1S/C6H7BrN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9)/i1D3
- InChI Key： JDNCMHOKWINDKI-FIBGUPNXSA-N
- SMILES： BrC1=CN=C(C=C1C([2H])([2H])[2H])N
Computed Properties
- Exact Mass: 188.99809Da
- Monoisotopic Mass: 188.99809Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 97.1
- 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: 1.6
- Topological Polar Surface Area: 38.9?2
5-bromo-4-(methyl-d3)pyridin-2-amine Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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