| Canonical Smiles | C1=CC(=C(C=C1C2=CC(=CN=C2)C(=O)O)F)Cl |
|---|---|
| IUPAC Name | 5-(4-chloro-3-fluorophenyl)pyridine-3-carboxylic acid |
| InChIKey | XOUVKXIFBDRANW-UHFFFAOYSA-N |
| INCHI | 1S/C12H7ClFNO2/c13-10-2-1-7(4-11(10)14)8-3-9(12(16)17)6-15-5-8/h1-6H,(H,16,17) |
| Molecular Weight | 251.64 |
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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 | Pyridinecarboxylic acids Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - 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 | 251.640 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 251.015 Da |
| Monoisotopic Mass | 251.015 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| 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 |
