CAS Registry Number: 78686-79-0

Name:

3-​Pyridinecarboxylic acid, 5-​bromo-​2-​chloro-​, methyl ester
5-​Bromo-​2-​chloronicotinic acid methyl ester; 5-​Bromo-​2-​chloropyridine-​3-​carboxylic acid methyl ester; Methyl 2-​chloro-​5-​bromo-​3-​pyridinecarboxylate; Methyl 5-​bromo-​2-​chloronicotinate 

Chemical Formula: C7H5BrClNO2
Exact Mass: 248.92
Molecular Weight: 250.48
m/z: 250.92 (100.0%), 248.92 (77.1%), 252.91 (24.0%), 251.92 (7.7%), 249.92 (6.2%), 253.92 (1.9%)
Elemental Analysis: C, 33.57; H, 2.01; Br, 31.90; Cl, 14.15; N, 5.59; O, 12.78

InChI: InChI=1S/C7H5BrClNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChIKey: MOMQDEDQGJAKII-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=CN=C1Cl)Br

Specification

98%

1. (1) Ma, Yi; Acta Crystallographica, Section E: Structure Reports Online 2008, V64(6), Po1072, o1072/1-o1072/6 CAPLUS
2. (2) Setliff, Frank L.; Journal of Chemical and Engineering Data 1981, V26(3), P332-3 CAPLUS
3. (3) Taylor, Edward C.; EP 265126 A2 1988 CAPLUS
4. (4) Taylor, Edward C.; Journal of Organic Chemistry 1989, V54(15), P3618-24 CAPLUS