4-(trifluoromethyl)pyridine-2,6-dicarboxylic acid hydrate

Systemtic Name: 4-(trifluoromethyl)pyridine-2,6-dicarboxylic acid hydrate Openeye Name: 4-(trifluoromethyl)pyridine-2,6-dicarboxylic acid hydrate CAS Name: 4-(trifluoromethyl)pyridine-2,6-dicarboxylic acid hydrate IUPAC Name: 4-(trifluoromethyl)pyridine-2,6-dicarboxylic acid hydrate Traditional Name: 4-(trifluoromethyl)dipicolinic acid hydrate Formula: C8H6F3NO5 MolecularWeight: 253.13215

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(N=C1C(=O)O)C(=O)O)C(F)(F)F.O

Isomeric SMILES

C1=C(C=C(N=C1C(=O)O)C(=O)O)C(F)(F)F.O

InChI

InChI=1S/C8H4F3NO4.H2O/c9-8(10,11)3-1-4(6(13)14)12-5(2-3)7(15)16;/h1-2H,(H,13,14)(H,15,16);1H2