CAS Registry Number: 120034-05-1

Name:

3-​Pyridinecarboxylic acid, 5-​bromo-​1,​2-​dihydro-​2-​oxo-​, methyl ester
5-​Bromo-​2-​hydroxynicotinic acid methyl ester; Methyl 5-​bromo-​2-​oxo-​1,​2-​dihydropyridine-​3-​carboxylate 

Chemical Formula: C7H6BrNO3
Exact Mass: 230.95
Molecular Weight: 232.03
m/z: 230.95 (100.0%), 232.95 (97.3%), 231.96 (7.8%), 233.95 (7.7%)
Elemental Analysis: C, 36.23; H, 2.61; Br, 34.44; N, 6.04; O, 20.69

InChI: InChI=1S/C7H6BrNO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
InChIKey: TXZVFXMZHYRSDN-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CNC1=O)Br

Specification

98%

PCT Int. Appl. (2012), WO 2012054510 A1 20120426.

PCT Int. Appl. (2010), WO 2010038081 A2 20100408.