About 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine
4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine (PubChem CID 101132495) has the molecular formula C19H13N3O
and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine.
Molecular Properties
| Compound Name | 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine |
| PubChem CID | 101132495 |
| Molecular Formula | C19H13N3O |
| Molecular Weight | 299.33 g/mol |
| Exact Mass | 299.11 |
| IUPAC Name | 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine |
| SMILES | c1ccc(-c2cc(-c3ccco3)cc(-c3ccncc3)n2)nc1 |
| InChI | InChI=1S/C19H13N3O/c1-2-8-21-16(4-1)18-13-15(19-5-3-11-23-19)12-17(22-18)14-6-9-20-10-7-14/h1-13H |
| InChIKey | BXGUUHLJIBAGAX-UHFFFAOYSA-N |
| XLogP | 4.47 |
| TPSA | 51.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 299.33 |
| LogP ≤ 5 | 4.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
The IUPAC name of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine (CID 101132495) is 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine.
What is the SMILES notation for 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
The canonical SMILES for 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine is c1ccc(-c2cc(-c3ccco3)cc(-c3ccncc3)n2)nc1.
What is the InChIKey of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
The InChIKey is BXGUUHLJIBAGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c1-2-8-21-16(4-1)18-13-15(19-5-3-11-23-19)12-17(22-18)14-6-9-20-10-7-14/h1-13H.
What are the key properties of 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine?
4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine has a molecular weight of 299.33 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-pyridin-2-yl-6-pyridin-4-ylpyridine is sourced from PubChem (CID 101132495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).