About 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine (PubChem CID 11206226) has the molecular formula C11H10N2O
and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine.
Molecular Properties
| Compound Name | 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine |
| PubChem CID | 11206226 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.21 g/mol |
| Exact Mass | 186.08 |
| IUPAC Name | 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine |
| SMILES | Cc1ccnc(/N=C/c2ccco2)c1 |
| InChI | InChI=1S/C11H10N2O/c1-9-4-5-12-11(7-9)13-8-10-3-2-6-14-10/h2-8H,1H3/b13-8+ |
| InChIKey | HPGNFAKPCORPDJ-MDWZMJQESA-N |
| XLogP | 2.73 |
| TPSA | 38.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 186.21 |
| LogP ≤ 5 | 2.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine?
The IUPAC name of 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine (CID 11206226) is 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine?
The canonical SMILES for 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine is Cc1ccnc(/N=C/c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine?
The InChIKey is HPGNFAKPCORPDJ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H10N2O/c1-9-4-5-12-11(7-9)13-8-10-3-2-6-14-10/h2-8H,1H3/b13-8+.
What are the key properties of 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine?
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine has a molecular weight of 186.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine is sourced from PubChem (CID 11206226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).