About [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine
[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine (PubChem CID 105323198) has the molecular formula C14H13BrClFN2O
and a molecular weight of 359.63 g/mol. Its IUPAC name is [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine.
Molecular Properties
| Compound Name | [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine |
| PubChem CID | 105323198 |
| Molecular Formula | C14H13BrClFN2O |
| Molecular Weight | 359.63 g/mol |
| Exact Mass | 357.99 |
| IUPAC Name | [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine |
| SMILES | COc1cc(Cl)ccc1C(NN)c1cc(Br)ccc1F |
| InChI | InChI=1S/C14H13BrClFN2O/c1-20-13-7-9(16)3-4-10(13)14(19-18)11-6-8(15)2-5-12(11)17/h2-7,14,19H,18H2,1H3 |
| InChIKey | YDVMIWHKGILOJB-UHFFFAOYSA-N |
| XLogP | 3.80 |
| TPSA | 47.28 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 359.63 |
| LogP ≤ 5 | 3.80 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine (CID 105323198) is [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine is COc1cc(Cl)ccc1C(NN)c1cc(Br)ccc1F.
What is the InChIKey of [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
The InChIKey is YDVMIWHKGILOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O/c1-20-13-7-9(16)3-4-10(13)14(19-18)11-6-8(15)2-5-12(11)17/h2-7,14,19H,18H2,1H3.
What are the key properties of [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine?
[(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine has a molecular weight of 359.63 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-fluorophenyl)-(4-chloro-2-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105323198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).