About 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 107358891) has the molecular formula C11H7F2N3O
and a molecular weight of 235.19 g/mol. Its IUPAC name is 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide |
| PubChem CID | 107358891 |
| Molecular Formula | C11H7F2N3O |
| Molecular Weight | 235.19 g/mol |
| Exact Mass | 235.06 |
| IUPAC Name | 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide |
| SMILES | O=C(Nc1ccc(F)nc1)c1cccnc1F |
| InChI | InChI=1S/C11H7F2N3O/c12-9-4-3-7(6-15-9)16-11(17)8-2-1-5-14-10(8)13/h1-6H,(H,16,17) |
| InChIKey | UWAAYCAZWPYMRW-UHFFFAOYSA-N |
| XLogP | 2.01 |
| TPSA | 54.88 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 235.19 |
| LogP ≤ 5 | 2.01 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide (CID 107358891) is 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide is O=C(Nc1ccc(F)nc1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is UWAAYCAZWPYMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3O/c12-9-4-3-7(6-15-9)16-11(17)8-2-1-5-14-10(8)13/h1-6H,(H,16,17).
What are the key properties of 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide?
2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 235.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(6-fluoro-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 107358891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).