C12H9Cl2F3N4 — CID 102710376
[(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710376) has the molecular formula C12H9Cl2F3N4 and a molecular weight of 337.13 g/mol. Its IUPAC name is [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
| Compound Name | [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine |
|---|---|
| PubChem CID | 102710376 |
| Molecular Formula | C12H9Cl2F3N4 |
| Molecular Weight | 337.13 g/mol |
| Exact Mass | 336.02 |
| IUPAC Name | [(3,5-dichloro-2-pyridinyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine |
| SMILES | NNC(c1cnccc1C(F)(F)F)c1ncc(Cl)cc1Cl |
| InChI | InChI=1S/C12H9Cl2F3N4/c13-6-3-9(14)11(20-4-6)10(21-18)7-5-19-2-1-8(7)12(15,16)17/h1-5,10,21H,18H2 |
| InChIKey | LCCNCRUPFCMSDQ-UHFFFAOYSA-N |
| XLogP | 3.35 |
| TPSA | 63.83 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 21 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 337.13 |
| LogP ≤ 5 | 3.35 |
| 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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