CAS Registry Number: 917023-06-4
 Name:

methyl 2-(5-bromopyridin-2-yl)acetate

(5-Bromo-2-pyridinyl)acetic acid methyl ester

Chemical Formula: C8H8BrNO2
Exact Mass: 228.97
Molecular Weight: 230.06
m/z: 228.97 (100.0%), 230.97 (97.3%), 229.98 (8.8%), 231.98 (8.6%)

InChI
InChI=1S/C8H8BrNO2/c1-12-8(11)4-7-3-2-6(9)5-10-7/h2-3,5H,4H2,1H3
InChI Key
NIAATLPQSKGUBG-UHFFFAOYSA-N
Canonical SMILES
COC(=O)CC1=NC=C(C=C1)Br

Specification

98%

Journal of Medicinal Chemistry, 61(11), 4704-4719; 2018

PCT Int. Appl., 2018031988, 15 Feb 2018