5-Chloro-2-methyl-4-pyridinecarboxylic acid
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5-Chloro-2-methyl-4-pyridinecarboxylic acid
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CAS No:
1060810-03-8
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Formula:
C7H6ClNO2
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Chemical Name:
5-Chloro-2-methyl-4-pyridinecarboxylic acid
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Synonyms:
4-Pyridinecarboxylic acid,5-chloro-2-methyl-;5-Chloro-2-methyl-4-pyridinecarboxylic acid
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CAS No:
5-Chloro-2-methyl-4-pyridinecarboxylic acid Basic Attributes
171.58104
171.58
DTXSID50721192
2933399090
5-Chloro-2-methyl-4-pyridinecarboxylic acid Use and Manufacturing
Methyl 5-chloro-2-methylisonicotinate was suspended in a solution of THF/MeOH/water (1:1:1) and to that LiOH (3 eq) was added. The mixture was stirred for 1 h and the resultant carboxylic acid was isolated by aqueous workup .To a CH2Cl2 solution of acid 6-4 (0.8 g) was added EDC (1.3 eq) and aniline (2 eq) at room temperature. After 10 minutes, the reaction was diluted with CH2Cl2 and washed with dilute HCl. The organic layer was dried and concentrated to yield amide 6-5 (0.9 g, 80%) .
Computed Properties
Molecular Weight:171.58
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.0087061
Monoisotopic Mass:171.0087061
Topological Polar Surface Area:50.2
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-2-methyl-4-pyridinecarboxylic acid
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