C16H18ClN3 — CID 103445912
[1-(3-chloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine (PubChem CID 103445912) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is [1-(3-chloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine.
| Compound Name | [1-(3-chloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine |
|---|---|
| PubChem CID | 103445912 |
| Molecular Formula | C16H18ClN3 |
| Molecular Weight | 287.79 g/mol |
| Exact Mass | 287.12 |
| IUPAC Name | [1-(3-chloro-2-pyridinyl)-2-(2,3-dihydro-1H-inden-5-yl)ethyl]hydrazine |
| SMILES | NNC(Cc1ccc2c(c1)CCC2)c1ncccc1Cl |
| InChI | InChI=1S/C16H18ClN3/c17-14-5-2-8-19-16(14)15(20-18)10-11-6-7-12-3-1-4-13(12)9-11/h2,5-9,15,20H,1,3-4,10,18H2 |
| InChIKey | ZOLBRDKUPGYRKL-UHFFFAOYSA-N |
| XLogP | 2.97 |
| TPSA | 50.94 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 20 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 287.79 |
| LogP ≤ 5 | 2.97 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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