About 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine
6-fluoro-3-methoxy-2-pyridin-2-ylpyridine (PubChem CID 68829591) has the molecular formula C11H9FN2O
and a molecular weight of 204.20 g/mol. Its IUPAC name is 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine.
Molecular Properties
| Compound Name | 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine |
| PubChem CID | 68829591 |
| Molecular Formula | C11H9FN2O |
| Molecular Weight | 204.20 g/mol |
| Exact Mass | 204.07 |
| IUPAC Name | 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine |
| SMILES | COc1ccc(F)nc1-c1ccccn1 |
| InChI | InChI=1S/C11H9FN2O/c1-15-9-5-6-10(12)14-11(9)8-4-2-3-7-13-8/h2-7H,1H3 |
| InChIKey | ITZIWEUCHZCJGY-UHFFFAOYSA-N |
| XLogP | 2.29 |
| TPSA | 35.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 204.20 |
| LogP ≤ 5 | 2.29 |
| 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 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine?
The IUPAC name of 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine (CID 68829591) is 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine.
What is the SMILES notation for 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine?
The canonical SMILES for 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine is COc1ccc(F)nc1-c1ccccn1.
What is the InChIKey of 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine?
The InChIKey is ITZIWEUCHZCJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-15-9-5-6-10(12)14-11(9)8-4-2-3-7-13-8/h2-7H,1H3.
What are the key properties of 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine?
6-fluoro-3-methoxy-2-pyridin-2-ylpyridine has a molecular weight of 204.20 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methoxy-2-pyridin-2-ylpyridine is sourced from PubChem (CID 68829591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).