Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	152
	Name:	2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-[3-(trifluoromethyl)phenoxy]nicotinic acid
	Labels:
	CAS:	36701-89-0
	InChi Code:	InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-10(12(18)19)5-2-6-17-11/h1-7H,(H,18,19)

Properties

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
4.21	experimental value
3.8679	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)