About 2-(3-chloro-2-iodophenyl)pyridine
2-(3-chloro-2-iodophenyl)pyridine (PubChem CID 11290028) has the molecular formula C11H7ClIN
and a molecular weight of 315.54 g/mol. Its IUPAC name is 2-(3-chloro-2-iodophenyl)pyridine.
Molecular Properties
| Compound Name | 2-(3-chloro-2-iodophenyl)pyridine |
| PubChem CID | 11290028 |
| Molecular Formula | C11H7ClIN |
| Molecular Weight | 315.54 g/mol |
| Exact Mass | 314.93 |
| IUPAC Name | 2-(3-chloro-2-iodophenyl)pyridine |
| SMILES | Clc1cccc(-c2ccccn2)c1I |
| InChI | InChI=1S/C11H7ClIN/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h1-7H |
| InChIKey | SGJMGZBPUDTSIH-UHFFFAOYSA-N |
| XLogP | 4.01 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 315.54 |
| LogP ≤ 5 | 4.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of 2-(3-chloro-2-iodophenyl)pyridine?
The IUPAC name of 2-(3-chloro-2-iodophenyl)pyridine (CID 11290028) is 2-(3-chloro-2-iodophenyl)pyridine.
What is the SMILES notation for 2-(3-chloro-2-iodophenyl)pyridine?
The canonical SMILES for 2-(3-chloro-2-iodophenyl)pyridine is Clc1cccc(-c2ccccn2)c1I.
What is the InChIKey of 2-(3-chloro-2-iodophenyl)pyridine?
The InChIKey is SGJMGZBPUDTSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClIN/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h1-7H.
What are the key properties of 2-(3-chloro-2-iodophenyl)pyridine?
2-(3-chloro-2-iodophenyl)pyridine has a molecular weight of 315.54 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-iodophenyl)pyridine is sourced from PubChem (CID 11290028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).