About 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine
2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine (PubChem CID 59191403) has the molecular formula C13H12FNO2
and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine.
Molecular Properties
| Compound Name | 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine |
| PubChem CID | 59191403 |
| Molecular Formula | C13H12FNO2 |
| Molecular Weight | 233.24 g/mol |
| Exact Mass | 233.09 |
| IUPAC Name | 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine |
| SMILES | COc1cc(C)ccc1Oc1cccc(F)n1 |
| InChI | InChI=1S/C13H12FNO2/c1-9-6-7-10(11(8-9)16-2)17-13-5-3-4-12(14)15-13/h3-8H,1-2H3 |
| InChIKey | RTVYQNFCJHPRDV-UHFFFAOYSA-N |
| XLogP | 3.33 |
| TPSA | 31.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 233.24 |
| LogP ≤ 5 | 3.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine?
The IUPAC name of 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine (CID 59191403) is 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine.
What is the SMILES notation for 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine?
The canonical SMILES for 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine is COc1cc(C)ccc1Oc1cccc(F)n1.
What is the InChIKey of 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine?
The InChIKey is RTVYQNFCJHPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-9-6-7-10(11(8-9)16-2)17-13-5-3-4-12(14)15-13/h3-8H,1-2H3.
What are the key properties of 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine?
2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine has a molecular weight of 233.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine is sourced from PubChem (CID 59191403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).