About 4-(6-iodonaphthalen-2-yl)pyridine
4-(6-iodonaphthalen-2-yl)pyridine (PubChem CID 155054482) has the molecular formula C15H10IN
and a molecular weight of 331.16 g/mol. Its IUPAC name is 4-(6-iodonaphthalen-2-yl)pyridine.
Molecular Properties
| Compound Name | 4-(6-iodonaphthalen-2-yl)pyridine |
| PubChem CID | 155054482 |
| Molecular Formula | C15H10IN |
| Molecular Weight | 331.16 g/mol |
| Exact Mass | 330.99 |
| IUPAC Name | 4-(6-iodonaphthalen-2-yl)pyridine |
| SMILES | Ic1ccc2cc(-c3ccncc3)ccc2c1 |
| InChI | InChI=1S/C15H10IN/c16-15-4-3-13-9-12(1-2-14(13)10-15)11-5-7-17-8-6-11/h1-10H |
| InChIKey | KQTYWIPXLWXDHQ-UHFFFAOYSA-N |
| XLogP | 4.51 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 331.16 |
| LogP ≤ 5 | 4.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
Analyze 4-(6-iodonaphthalen-2-yl)pyridine with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 4-(6-iodonaphthalen-2-yl)pyridine?
The IUPAC name of 4-(6-iodonaphthalen-2-yl)pyridine (CID 155054482) is 4-(6-iodonaphthalen-2-yl)pyridine.
What is the SMILES notation for 4-(6-iodonaphthalen-2-yl)pyridine?
The canonical SMILES for 4-(6-iodonaphthalen-2-yl)pyridine is Ic1ccc2cc(-c3ccncc3)ccc2c1.
What is the InChIKey of 4-(6-iodonaphthalen-2-yl)pyridine?
The InChIKey is KQTYWIPXLWXDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10IN/c16-15-4-3-13-9-12(1-2-14(13)10-15)11-5-7-17-8-6-11/h1-10H.
What are the key properties of 4-(6-iodonaphthalen-2-yl)pyridine?
4-(6-iodonaphthalen-2-yl)pyridine has a molecular weight of 331.16 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-iodonaphthalen-2-yl)pyridine is sourced from PubChem (CID 155054482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).