About 6-chloro-4-fluoro-1-methylindazole
6-chloro-4-fluoro-1-methylindazole (PubChem CID 141365028) has the molecular formula C8H6ClFN2
and a molecular weight of 184.60 g/mol. Its IUPAC name is 6-chloro-4-fluoro-1-methylindazole.
Molecular Properties
| Compound Name | 6-chloro-4-fluoro-1-methylindazole |
|---|
| PubChem CID | 141365028 |
|---|
| Molecular Formula | C8H6ClFN2 |
|---|
| Molecular Weight | 184.60 g/mol |
|---|
| Exact Mass | 184.02 |
|---|
| IUPAC Name | 6-chloro-4-fluoro-1-methylindazole |
|---|
| SMILES | Cn1ncc2c(F)cc(Cl)cc21 |
|---|
| InChI | InChI=1S/C8H6ClFN2/c1-12-8-3-5(9)2-7(10)6(8)4-11-12/h2-4H,1H3 |
|---|
| InChIKey | PGLZGHGJQDBPHJ-UHFFFAOYSA-N |
|---|
| XLogP | 2.37 |
|---|
| TPSA | 17.82 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 12 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 184.60 |
| LogP ≤ 5 | 2.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 6-chloro-4-fluoro-1-methylindazole?
The IUPAC name of 6-chloro-4-fluoro-1-methylindazole (CID 141365028) is 6-chloro-4-fluoro-1-methylindazole.
What is the SMILES notation for 6-chloro-4-fluoro-1-methylindazole?
The canonical SMILES for 6-chloro-4-fluoro-1-methylindazole is Cn1ncc2c(F)cc(Cl)cc21.
What is the InChIKey of 6-chloro-4-fluoro-1-methylindazole?
The InChIKey is PGLZGHGJQDBPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2/c1-12-8-3-5(9)2-7(10)6(8)4-11-12/h2-4H,1H3.
What are the key properties of 6-chloro-4-fluoro-1-methylindazole?
6-chloro-4-fluoro-1-methylindazole has a molecular weight of 184.60 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-1-methylindazole is sourced from PubChem (CID 141365028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).