CAS Registry Number: 872619-43-7

Name:

1H-​Pyrrolo[2,​3-​b]​pyridine-​3-​carboxylic acid, 5-​bromo-​, methyl ester

Chemical Formula: C9H7BrN2O2
Exact Mass: 253.97
Molecular Weight: 255.07
m/z: 253.97 (100.0%), 255.97 (97.8%), 254.97 (10.5%), 256.97 (9.6%)

InChI: InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-12-8-6(7)2-5(10)3-11-8/h2-4H,1H3,(H,11,12)
InChIKey: QFENDXLPFBGAIX-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CNC2=NC=C(C=C12)Br

Specification

98%

PCT Int. Appl. (2009), WO 2009151598 A1 20091217.                                  

PCT Int. Appl. (2006), WO 2006001754 A1 20060105.