| Canonical Smiles | C1=CC(=C(C=C1C2=CN=C(C=C2)N)Cl)F |
|---|---|
| IUPAC Name | 5-(3-chloro-4-fluorophenyl)pyridin-2-amine |
| InChIKey | OFIINFLNDRNROV-UHFFFAOYSA-N |
| INCHI | 1S/C11H8ClFN2/c12-9-5-7(1-3-10(9)13)8-2-4-11(14)15-6-8/h1-6H,(H2,14,15) |
| Molecular Weight | 222.64 |
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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 | Fluorobenzenes Chlorobenzenes Aminopyridines and derivatives Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Aminopyridine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Amine - Organochloride - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Primary amine - 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 | 222.640 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.036 Da |
| Monoisotopic Mass | 222.036 Da |
| Topological Polar Surface Area | 38.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| 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 |
