About 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine (PubChem CID 79727918) has the molecular formula C11H6ClFINO
and a molecular weight of 349.53 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine.
Molecular Properties
| Compound Name | 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine |
| PubChem CID | 79727918 |
| Molecular Formula | C11H6ClFINO |
| Molecular Weight | 349.53 g/mol |
| Exact Mass | 348.92 |
| IUPAC Name | 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine |
| SMILES | Fc1cc(Cl)cnc1Oc1ccccc1I |
| InChI | InChI=1S/C11H6ClFINO/c12-7-5-8(13)11(15-6-7)16-10-4-2-1-3-9(10)14/h1-6H |
| InChIKey | KWGDDLQCRYJVRM-UHFFFAOYSA-N |
| XLogP | 4.27 |
| TPSA | 22.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 349.53 |
| LogP ≤ 5 | 4.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine (CID 79727918) is 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine is Fc1cc(Cl)cnc1Oc1ccccc1I.
What is the InChIKey of 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine?
The InChIKey is KWGDDLQCRYJVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFINO/c12-7-5-8(13)11(15-6-7)16-10-4-2-1-3-9(10)14/h1-6H.
What are the key properties of 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine?
5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine has a molecular weight of 349.53 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(2-iodophenoxy)pyridine is sourced from PubChem (CID 79727918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).