About 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine (PubChem CID 123620977) has the molecular formula C23H18N2
and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine.
Molecular Properties
| Compound Name | 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine |
| PubChem CID | 123620977 |
| Molecular Formula | C23H18N2 |
| Molecular Weight | 322.41 g/mol |
| Exact Mass | 322.15 |
| IUPAC Name | 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine |
| SMILES | Cc1cccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1 |
| InChI | InChI=1S/C23H18N2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24-22)16-21(15-19)23-10-3-5-12-25-23/h2-16H,1H3 |
| InChIKey | RFGDELZXKVFBKU-UHFFFAOYSA-N |
| XLogP | 5.79 |
| TPSA | 25.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 322.41 |
| LogP ≤ 5 | 5.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine (CID 123620977) is 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine is Cc1cccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c1.
What is the InChIKey of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is RFGDELZXKVFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-17-7-6-8-18(13-17)19-14-20(22-9-2-4-11-24-22)16-21(15-19)23-10-3-5-12-25-23/h2-16H,1H3.
What are the key properties of 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine?
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 322.41 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 123620977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).