C12H11Cl2N3O — CID 79233690
[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 79233690) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is [6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine.
| Compound Name | [6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine |
|---|---|
| PubChem CID | 79233690 |
| Molecular Formula | C12H11Cl2N3O |
| Molecular Weight | 284.15 g/mol |
| Exact Mass | 283.03 |
| IUPAC Name | [6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]hydrazine |
| SMILES | NNc1cccc(COc2ccc(Cl)cc2Cl)n1 |
| InChI | InChI=1S/C12H11Cl2N3O/c13-8-4-5-11(10(14)6-8)18-7-9-2-1-3-12(16-9)17-15/h1-6H,7,15H2,(H,16,17) |
| InChIKey | RFMFBHNXXYRBMB-UHFFFAOYSA-N |
| XLogP | 3.25 |
| TPSA | 60.17 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 284.15 |
| LogP ≤ 5 | 3.25 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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