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:	168
	Name:	3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-chloro-5-trifluoromethyl-pyridine-2-carboxylic acid
	Labels:
	CAS:
	InChi Code:	InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)

Properties

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

Value	Source or prediction
3.35	experimental value
3.2749	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)