2-aMino-6-chloronicotinonitrile
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2-aMino-6-chloronicotinonitrile
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CAS No:
52471-07-5
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Formula:
C6H4ClN3
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Chemical Name:
2-aMino-6-chloronicotinonitrile
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Synonyms:
2-Amino-6-chloronicotinonitrile;2-Amino-6-chloropyridine-3-carbonitrile;3-Pyridinecarbonitrile, 2-amino-6-chloro-;SCHEMBL566120;CTK8B7339;KS-00000PKG;DTXSID20604988;2-Amino-6-chloro-3-cyanopyridine;ANW-57076;MFCD18261104
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CAS No:
2-aMino-6-chloronicotinonitrile Basic Attributes
153.56906
153.00900
1592732-453-0
DTXSID20604988
2933399090
2-aMino-6-chloronicotinonitrile Use and Manufacturing
2-Amino-6-chloropyridine-3-carbonitrile 11.15 g (53.6 mmol) of 2-amino-6-chloropyridine-3-carbaldehyde oxime hydrochloride (Example 108A) are introduced into dioxane, 13 ml (161 mmol) of pyridine are added, and the mixture is cooled to 0° C. 8.3 ml (58.95 mmol) of trifluoroacetic anhydride are added, and the reaction is allowed to warm to RT and then stirred at 60° C. for 2 h. The reaction mixture is taken up in a mixture of ethyl acetate and sodium bicarbonate solution. The organic phase is washed with saturated aqueous sodium chloride solution, dried over magnesium sulphate and concentrated in a rotary evaporator. The residue is suspended in 3:1 dichloromethane:diethyl ether, and the solid is filtered off with suction and dried. 5.56 g (66percent of theory) of the product are obtained as a solid.LCMS (method 6): RExample 5A
Computed Properties
Molecular Weight:153.57
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:153.0093748
Monoisotopic Mass:153.0093748
Topological Polar Surface Area:62.7
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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