About 1-(4-fluorophenyl)-4-methoxyindazole
1-(4-fluorophenyl)-4-methoxyindazole (PubChem CID 68921592) has the molecular formula C14H11FN2O
and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxyindazole.
Molecular Properties
| Compound Name | 1-(4-fluorophenyl)-4-methoxyindazole |
| PubChem CID | 68921592 |
| Molecular Formula | C14H11FN2O |
| Molecular Weight | 242.25 g/mol |
| Exact Mass | 242.09 |
| IUPAC Name | 1-(4-fluorophenyl)-4-methoxyindazole |
| SMILES | COc1cccc2c1cnn2-c1ccc(F)cc1 |
| InChI | InChI=1S/C14H11FN2O/c1-18-14-4-2-3-13-12(14)9-16-17(13)11-7-5-10(15)6-8-11/h2-9H,1H3 |
| InChIKey | QKEXDXFAICXMKE-UHFFFAOYSA-N |
| XLogP | 3.17 |
| TPSA | 27.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 242.25 |
| LogP ≤ 5 | 3.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxyindazole?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxyindazole (CID 68921592) is 1-(4-fluorophenyl)-4-methoxyindazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxyindazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxyindazole is COc1cccc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxyindazole?
The InChIKey is QKEXDXFAICXMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-18-14-4-2-3-13-12(14)9-16-17(13)11-7-5-10(15)6-8-11/h2-9H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methoxyindazole?
1-(4-fluorophenyl)-4-methoxyindazole has a molecular weight of 242.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxyindazole is sourced from PubChem (CID 68921592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).