![3-pyridinecarboxamide, 2-chloro-N-[3-(trifluoromethyl)phenyl]-](/api/spectrum/FJucpPvGFdr/structure.png?h=300&w=458 "3-pyridinecarboxamide, 2-chloro-N-[3-(trifluoromethyl)phenyl]-")
| SpectraBase Compound ID | ABGXYVQldOu |
|---|---|
| InChI | InChI=1S/C13H8ClF3N2O/c14-11-10(5-2-6-18-11)12(20)19-9-4-1-3-8(7-9)13(15,16)17/h1-7H,(H,19,20) |
| InChIKey | HEAVOBMAHAYADT-UHFFFAOYSA-N |
| Mol Weight | 300.67 g/mol |
| Molecular Formula | C13H8ClF3N2O |
| Exact Mass | 300.027725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FJucpPvGFdr |
|---|---|
| Name | 3-Pyridinecarboxamide, 2-chloro-N-[3-(trifluoromethyl)phenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.027725074 u |
| Formula | C13H8ClF3N2O |
| InChI | InChI=1S/C13H8ClF3N2O/c14-11-10(5-2-6-18-11)12(20)19-9-4-1-3-8(7-9)13(15,16)17/h1-7H,(H,19,20) |
| InChIKey | HEAVOBMAHAYADT-UHFFFAOYSA-N |
| Molecular Weight | 300.668 g/mol |
| SMILES | N(C(C1=C(N=CC=C1)Cl)=O)C=1C=C(C(F)(F)F)C=CC1 |