| Canonical Smiles | C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)N)C(F)(F)F |
|---|---|
| IUPAC Name | 5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
| InChIKey | XVISMMCVDVDVIN-UHFFFAOYSA-N |
| INCHI | 1S/C13H9F3N2O/c14-13(15,16)11-3-1-8(2-4-11)9-5-10(12(17)19)7-18-6-9/h1-7H,(H2,17,19) |
| Molecular Weight | 266.22 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Trifluoromethylbenzenes Nicotinamides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Trifluoromethylbenzene - Nicotinamide - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| External Descriptors | Not available |
| Molecular Weight | 266.220 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 266.067 Da |
| Monoisotopic Mass | 266.067 Da |
| Topological Polar Surface Area | 56.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 324.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
