| Canonical Smiles | C1=CC(=CC(=C1)F)C2=CN=C(C=C2)N |
|---|---|
| IUPAC Name | 5-(3-fluorophenyl)pyridin-2-amine |
| InChIKey | FNNYVLPUTIYSSV-UHFFFAOYSA-N |
| INCHI | 1S/C11H9FN2/c12-10-3-1-2-8(6-10)9-4-5-11(13)14-7-9/h1-7H,(H2,13,14) |
| Isomeric SMILES | C1=CC(=CC(=C1)F)C2=CN=C(C=C2)N |
| PubChem CID | 20099807 |
| Molecular Weight | 188.205 |
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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 Aminopyridines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Aminopyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Primary amine - Amine - Organic nitrogen compound - 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 | 188.200 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 188.075 Da |
| Monoisotopic Mass | 188.075 Da |
| Topological Polar Surface Area | 38.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 186.000 |
| 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 |
