About N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 103874413) has the molecular formula C13H11FN2O3
and a molecular weight of 262.24 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide.
Molecular Properties
| Compound Name | N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide |
| PubChem CID | 103874413 |
| Molecular Formula | C13H11FN2O3 |
| Molecular Weight | 262.24 g/mol |
| Exact Mass | 262.08 |
| IUPAC Name | N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide |
| SMILES | COc1ccc(C(=O)Nc2ccncc2F)cc1O |
| InChI | InChI=1S/C13H11FN2O3/c1-19-12-3-2-8(6-11(12)17)13(18)16-10-4-5-15-7-9(10)14/h2-7,17H,1H3,(H,15,16,18) |
| InChIKey | SEIGCMFCRKHEJE-UHFFFAOYSA-N |
| XLogP | 2.19 |
| TPSA | 71.45 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 262.24 |
| LogP ≤ 5 | 2.19 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide (CID 103874413) is N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccncc2F)cc1O.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is SEIGCMFCRKHEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-12-3-2-8(6-11(12)17)13(18)16-10-4-5-15-7-9(10)14/h2-7,17H,1H3,(H,15,16,18).
What are the key properties of N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide?
N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 262.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 103874413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).