About 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide (PubChem CID 130085884) has the molecular formula C8H7F2IN2O2
and a molecular weight of 328.06 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide.
Molecular Properties
| Compound Name | 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide |
| PubChem CID | 130085884 |
| Molecular Formula | C8H7F2IN2O2 |
| Molecular Weight | 328.06 g/mol |
| Exact Mass | 327.95 |
| IUPAC Name | 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide |
| SMILES | COc1cc(C(F)F)nc(C(N)=O)c1I |
| InChI | InChI=1S/C8H7F2IN2O2/c1-15-4-2-3(7(9)10)13-6(5(4)11)8(12)14/h2,7H,1H3,(H2,12,14) |
| InChIKey | RWZNCLUCZCXYRH-UHFFFAOYSA-N |
| XLogP | 1.73 |
| TPSA | 65.21 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 328.06 |
| LogP ≤ 5 | 1.73 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide (CID 130085884) is 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide is COc1cc(C(F)F)nc(C(N)=O)c1I.
What is the InChIKey of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
The InChIKey is RWZNCLUCZCXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2IN2O2/c1-15-4-2-3(7(9)10)13-6(5(4)11)8(12)14/h2,7H,1H3,(H2,12,14).
What are the key properties of 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide?
6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide has a molecular weight of 328.06 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 130085884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).