CAS Registry Number: 175204-82-7

Name:

3-​Pyridinecarboxylic acid, 4-​(trifluoromethyl)​-​, methyl ester
4-​Trifluoromethylnicot​inic acid methyl ester; Methyl 4-​trifluoromethylnicot​inate 

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)5-4-12-3-2-6(5)8(9,10)11/h2-4H,1H3
InChIKey: RFUABQNZKSSKRX-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CN=C1)C(F)(F)F

Specification

98%

PCT Int. Appl. (2005), WO 2005014566 A1 20050217.                                  

PCT Int. Appl. (2004), WO 2004014138 A1 20040219.