CAS Registry Number: 221313-10-6

Name:

3-​Pyridinecarboxylic acid, 6-​(trifluoromethyl)​-​, methyl ester
6-​Trifluoromethylpyrid​ine-​3-​carboxylic acid methyl ester; Methyl 6-​(trifluoromethyl)​nicotinate 

Chemical Formula: C8H6F3NO2
Exact Mass: 205.04
Molecular Weight: 205.13
m/z: 205.04 (100.0%), 206.04 (8.8%)
Elemental Analysis: C, 46.84; H, 2.95; F, 27.78; N, 6.83; O, 15.60

InChI: InChI=1S/C8H6F3NO2/c1-14-7(13)5-2-3-6(12-4-5)8(9,10)11/h2-4H,1H3
InChIKey: NEATXKNYTRXHQL-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CN=C(C=C1)C(F)(F)F

Specification

98%

1. (1) Butcher, Kenneth J.; Organic Process Research & Development 2011, V15(5), P1192-1200 CAPLUS