2-Pyridinecarboxylicacid,5-nitro-,ethylester(9CI)

A solution of 5-nitro-pyridine-2-carboxylic acid (38.0 g, 226 mmol) in thionyl chloride (50.0 ml, 686 mmol) was heated at reflux for 1 h and concentrated to a solid, which was dissolved in anhydrous ethanol (100 mL), refluxed 2 h, and allowed to cool. The solvent was evaporated in vacuo. The resultant solid residue was dissolved in ethyl acetate (500 mL), washed with 1 M aq. sodium bicarbonate (2 x 300 mL), dried over sodium sulfate, and concentrated to give 39.0 g (86percent yield) of a yellow solid, which was more than 95percent pure [BYAPOS;H] NMR and LCMS. 'H NMR [(DMSO-D6)] : [8] 9.46 (d, [1H, ] J = 2.1 Hz), 8.76 (dd, [1H, ] J = 2.1, 8. 6 Hz), 8.29 (d, [1H, ] J [=8. 6HZ), ] 4.41 (q, 2H, [J = 7. 1 HZ), ] 1.36 (t, 3H, [J = 7. 1 HZ).] LCMS-APCI (M+H+) : 197.A solution of 5-nitro-pyridine-2-carboxylic acid (38.0 g, 226 mmol) in thionyl chloride (50.0 ml, 686 mmol) was heated at reflux for 1 h and concentrated to a solid, which was dissolved in anhydrous ethanol (100 mL), refluxed 2 h, and allowed to cool.

Molecular Weight:196.16
XLogP3:1.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:196.04840674
Monoisotopic Mass:196.04840674
Topological Polar Surface Area:85
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes