6-Chloro-5-hydroxy-nicotinic acid methyl ester
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6-Chloro-5-hydroxy-nicotinic acid methyl ester
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CAS No:
915107-30-1
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Formula:
C7H6ClNO3
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Chemical Name:
6-Chloro-5-hydroxy-nicotinic acid methyl ester
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Synonyms:
methyl 6-chloro-5-hydroxynicotinate;6-Chloro-5-hydroxy-nicotinic acid methyl ester;91507-30-1;methyl 6-chloro-5-hydroxypyridine-3-carboxylate;SCHEMBL981603;CTK8D4280;DTXSID60919689;KS-000001BR;ZINC66327908;AKOS015891844
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CAS No:
Characteristics
59.4
1.3
1.4±0.1 g/cm3
142-143 °C(Solv: water (7732-18-5))
383.796°C at 760 mmHg
185.9±26.5 °C
1.569
6-Chloro-5-hydroxy-nicotinic acid methyl ester Use and Manufacturing
Methyl 6-chloro-5-hydroxynicotinate Step 1 . Preparation of methyl 6-chloro-5-hydroxynicotinate (C5). N-Chlorosuccinimide (95percent, 881 mg, 6.27 mmol) was added to a solution of methyl 5- hydroxynicotinate (800 mg, 5.22 mmol) in W.W-dimethylformamide (5.2 mL). The mixture was stirred at 80 °C for 18 hours, then concentrated in vacuo. Two purifications by chromatography on silica (Gradient: 20percent to 100percent ethyl acetate in heptane) provided the title product as a white solid. Yield : 306 mg, 1 .63 mmol, 31 percent. LCMS m/z 188.3, 190.3 (M+1 ).
Computed Properties
Molecular Weight:187.58
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:187.0036207
Monoisotopic Mass:187.0036207
Topological Polar Surface Area:59.4
Heavy Atom Count:12
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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6-Chloro-5-hydroxy-nicotinic acid methyl ester
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