About 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine (PubChem CID 59685716) has the molecular formula C16H15N3
and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine.
Molecular Properties
| Compound Name | 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine |
| PubChem CID | 59685716 |
| Molecular Formula | C16H15N3 |
| Molecular Weight | 249.32 g/mol |
| Exact Mass | 249.13 |
| IUPAC Name | 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine |
| SMILES | c1ccc(Cc2cccc(Cn3cccc3)n2)nc1 |
| InChI | InChI=1S/C16H15N3/c1-2-9-17-14(6-1)12-15-7-5-8-16(18-15)13-19-10-3-4-11-19/h1-11H,12-13H2 |
| InChIKey | FVGMEFKOMLQWID-UHFFFAOYSA-N |
| XLogP | 2.92 |
| TPSA | 30.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 249.32 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The IUPAC name of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine (CID 59685716) is 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine is c1ccc(Cc2cccc(Cn3cccc3)n2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
The InChIKey is FVGMEFKOMLQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-9-17-14(6-1)12-15-7-5-8-16(18-15)13-19-10-3-4-11-19/h1-11H,12-13H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine?
2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine has a molecular weight of 249.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine is sourced from PubChem (CID 59685716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).