5-BroMo-6-hydroxypicolinic acid
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5-BroMo-6-hydroxypicolinic acid
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CAS No:
1214385-51-9
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Formula:
C6H4BrNO3
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Chemical Name:
5-BroMo-6-hydroxypicolinic acid
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Synonyms:
5-Bromo-6-hydroxypicolinic acid;5-bromo-6-oxo-1,6-dihydropyridine-2-carboxylic acid;5-bromo-6-oxo-1H-pyridine-2-carboxylic acid;SCHEMBL15832302;CTK8B4440;KS-00000IHJ;DTXSID40735283;ANW-45042;MFCD24386919;ZINC77032004
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CAS No:
5-BroMo-6-hydroxypicolinic acid Use and Manufacturing
Bromine (115 g, 720 mmol) was added drop-wise to a suspension of 6-oxo-1, 6-dihydropyridine-2-carboxylic acid (25 g, 180 mmol) in acetic acid (400 mL). The reaction mixture was heated to 80° C. for 16 hours, whereupon it was concentrated to dryness under reduced pressure. The residue was triturated with tert-butyl methyl ether (200 mL) and filtered; the filter cake was washed with tert-butyl methyl ether (3×100 mL) to provide the product as a gray solid. Yield: 39.0 g, 179 mmol, 99percent.
Computed Properties
Molecular Weight:218.00
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:216.93746
Monoisotopic Mass:216.93746
Topological Polar Surface Area:66.4
Heavy Atom Count:11
Complexity:280
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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