959093-22-2 Purity
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Specification
The molecular formula of the compound is C7H5F3N2O.
The molecular weight of the compound is 190.12 g/mol.
The IUPAC name of the compound is 2-(trifluoromethyl)pyridine-3-carboxamide.
The InChI of the compound is InChI=1S/C7H5F3N2O/c8-7(9,10)5-4(6(11)13)2-1-3-12-5/h1-3H,(H2,11,13).
The InChIKey of the compound is PNXJWEQRIVLWBG-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=C(N=C1)C(F)(F)F)C(=O)N.
The CAS number of the compound is 959108-47-5.
The XLogP3-AA value of the compound is 0.6.
The compound has 1 hydrogen bond donor count.
The compound has 5 hydrogen bond acceptor counts.