About 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine
2-fluoro-3-(2-fluorophenyl)-5-methylpyridine (PubChem CID 46312592) has the molecular formula C12H9F2N
and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine.
Molecular Properties
| Compound Name | 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine |
| PubChem CID | 46312592 |
| Molecular Formula | C12H9F2N |
| Molecular Weight | 205.21 g/mol |
| Exact Mass | 205.07 |
| IUPAC Name | 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine |
| SMILES | Cc1cnc(F)c(-c2ccccc2F)c1 |
| InChI | InChI=1S/C12H9F2N/c1-8-6-10(12(14)15-7-8)9-4-2-3-5-11(9)13/h2-7H,1H3 |
| InChIKey | ZEORVNJMCDKSQE-UHFFFAOYSA-N |
| XLogP | 3.34 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 205.21 |
| LogP ≤ 5 | 3.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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-3-(2-fluorophenyl)-5-methylpyridine?
The IUPAC name of 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine (CID 46312592) is 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine.
What is the SMILES notation for 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine?
The canonical SMILES for 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine is Cc1cnc(F)c(-c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine?
The InChIKey is ZEORVNJMCDKSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N/c1-8-6-10(12(14)15-7-8)9-4-2-3-5-11(9)13/h2-7H,1H3.
What are the key properties of 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine?
2-fluoro-3-(2-fluorophenyl)-5-methylpyridine has a molecular weight of 205.21 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-fluorophenyl)-5-methylpyridine is sourced from PubChem (CID 46312592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).