About 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 139891630) has the molecular formula C8H7F3N2O3
and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide |
| PubChem CID | 139891630 |
| Molecular Formula | C8H7F3N2O3 |
| Molecular Weight | 236.15 g/mol |
| Exact Mass | 236.04 |
| IUPAC Name | 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | Cn1c(O)c(C(N)=O)c(C(F)(F)F)cc1=O |
| InChI | InChI=1S/C8H7F3N2O3/c1-13-4(14)2-3(8(9,10)11)5(6(12)15)7(13)16/h2,16H,1H3,(H2,12,15) |
| InChIKey | FIWAFJKFFUWYMX-UHFFFAOYSA-N |
| XLogP | 0.21 |
| TPSA | 85.32 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 236.15 |
| LogP ≤ 5 | 0.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (CID 139891630) is 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is Cn1c(O)c(C(N)=O)c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FIWAFJKFFUWYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-13-4(14)2-3(8(9,10)11)5(6(12)15)7(13)16/h2,16H,1H3,(H2,12,15).
What are the key properties of 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 236.15 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 139891630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).