2-CYANOPYRIDINE-3-CARBOXYLIC ACID
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2-CYANOPYRIDINE-3-CARBOXYLIC ACID
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CAS No:
73112-09-1
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Formula:
C7H4N2O2
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Chemical Name:
2-CYANOPYRIDINE-3-CARBOXYLIC ACID
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Synonyms:
2-cyanonicotinic acid;2-Cyanopyridine-3-carboxylic acid;3-PYRIDINECARBOXYLIC ACID, 2-CYANO-;2-cyano-3-pyridinecarboxylic acid;SCHEMBL1663588;CTK2H6955;DTXSID10501639;3-Pyridinecarboxylicacid, 2-cyano-;1354AC;ANW-59951
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CAS No:
Characteristics
74
0.4
1.2±0.1 g/cm3
192-203 °C(Solv: methanol (67-56-1))
396.9ºC at 760 mmHg
85.3±23.2 °C
1.518
2-CYANOPYRIDINE-3-CARBOXYLIC ACID Use and Manufacturing
A mixture of ester 3(3.16 g, 19.5 mmol), MeOH (60 mL) and 1 M NaOH (22 mL) was stirred at r.t. for 8 h, and then concentrated in vacuo. The residue was diluted with H2O (20 mL) and CH2Cl2 (50 mL), and then the solution was acidified with 1M HCl under cooling. The resulting precipitate was collected, washed with H2O and hexane, and dried in vacuo.
Computed Properties
Molecular Weight:148.12
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:148.027277375
Monoisotopic Mass:148.027277375
Topological Polar Surface Area:74
Heavy Atom Count:11
Complexity:206
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-CYANOPYRIDINE-3-CARBOXYLIC ACID
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