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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | COC1=C(C=CC(=C1)F)C2=CN=CC(=C2)C=O |
|---|---|
| IUPAC Name | 5-(4-fluoro-2-methoxyphenyl)pyridine-3-carbaldehyde |
| InChIKey | OIFLRPLXWDVCKP-UHFFFAOYSA-N |
| INCHI | 1S/C13H10FNO2/c1-17-13-5-11(14)2-3-12(13)10-4-9(8-16)6-15-7-10/h2-8H,1H3 |
| Molecular Weight | 231.22 |
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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 | Pyridine carboxaldehydes Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Aryl-aldehydes Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylpyridine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 3-pyridine carboxaldehyde - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl-aldehyde - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Organooxygen 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 | 231.220 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 231.07 Da |
| Monoisotopic Mass | 231.07 Da |
| Topological Polar Surface Area | 39.200 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 262.000 |
| 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 |