3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
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![3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1b3527f2913947db86b84b1a02c6148a.png "3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine")
3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
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CAS No:
1167056-96-3
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Formula:
C7H4BrClN2
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Chemical Name:
3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
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Synonyms:
1H-Pyrrolo[2,3-c]pyridine,3-bromo-5-chloro-;3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
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CAS No:
3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine Basic Attributes
231.47706
231.48
DTXSID80694643
2933990090
3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine Use and Manufacturing
To a stirred solution of 5- chloro-lH-pyrrolo[2, 3-c]pyridine (AJ-1) (2.0 g, 13.3 mmol) in anhydrous DMF (80 mL) at r.t.was added BrTo a stirred solution of 5- chloro-1H-pyrrolo[2, 3-c]pyridine (AJ-1) (2.0 g, 13.3 mmol) in anhydrous DMF (80 mL) at room temperature was added Br2 (0.68 mL, 13.3 mmol) dropwise. The solution was stirred at room temperature for one hour. The solution was quenched with 10percent Na2S2O3 solution (100mL) and diluted with H20 (400 mL). The aqueous layer was extracted with EtOAc (100 mL x4) and combined organic layer was washed with H20 (50 mL x 3) and brine (50 mL x 3) anddried over anhydrous Na2SO4. The solution was evaporated and dried over vacuo and 2.9 gproduct (95percent) was collected. LCMS (ESI) calc’d for C7H4BrC1N2 [M+H]: 231, found: 231.To a solution of compound 221.3 (1.2g, 7.7mmol, l .Oeq) in dimethylformamide (5mL), bromine solution (1.2g, 7.7mmol, l .Oeq) was added. Reaction mixture was stirred at room temperature for lh. After completion of the reaction, the reaction mixture was transferred into water to obtain the precipitate which was filtered, washed with water and dried well under vacuum to obtain 221.4. (1.1 g, 60.42percent). MS(ES): m/z 232.53 [M]
Computed Properties
Molecular Weight:231.48
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:229.92464
Monoisotopic Mass:229.92464
Topological Polar Surface Area:28.7
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Bromo-5-chloro-1H-pyrrolo[2,3-c]pyridine
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