C12H11Cl2IN4 — CID 114258206
3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine (PubChem CID 114258206) has the molecular formula C12H11Cl2IN4 and a molecular weight of 409.06 g/mol. Its IUPAC name is 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine.
| Compound Name | 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine |
|---|---|
| PubChem CID | 114258206 |
| Molecular Formula | C12H11Cl2IN4 |
| Molecular Weight | 409.06 g/mol |
| Exact Mass | 407.94 |
| IUPAC Name | 3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine |
| SMILES | Cc1ccc(I)cc1Nc1nc(NN)c(Cl)cc1Cl |
| InChI | InChI=1S/C12H11Cl2IN4/c1-6-2-3-7(15)4-10(6)17-11-8(13)5-9(14)12(18-11)19-16/h2-5H,16H2,1H3,(H2,17,18,19) |
| InChIKey | GZQHVLLMTYJOPE-UHFFFAOYSA-N |
| XLogP | 4.33 |
| TPSA | 62.97 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 409.06 |
| LogP ≤ 5 | 4.33 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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