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Specification
The molecular formula is C8H7F3N2O2.
The synonyms are methyl 2-amino-5-(trifluoromethyl)nicotinate, 1227048-89-6, methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate.
The molecular weight is 220.15 g/mol.
The IUPAC name is methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate.
The InChI is InChI=1S/C8H7F3N2O2/c1-15-7(14)5-2-4(8(9,10)11)3-13-6(5)12/h2-3H,1H3,(H2,12,13).
The InChIKey is OJQOTGQGUUMFLP-UHFFFAOYSA-N.
The canonical SMILES is COC(=O)C1=C(N=CC(=C1)C(F)(F)F)N.
The CAS number is 1227048-89-6.
Yes, Methyl 2-amino-5-(trifluoromethyl)nicotinate is canonicalized.