palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C21H14F6N6Pd — CID 58084556

About palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine

palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 58084556) has the molecular formula C21H14F6N6Pd and a molecular weight of 570.79 g/mol. Its IUPAC name is palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

• Compound Name: palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• PubChem CID: 58084556
• Molecular Formula: C21H14F6N6Pd
• Molecular Weight: 570.79 g/mol
• Exact Mass: 570.02
• IUPAC Name: palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• SMILES: CC(C)(c1cccc(-n2[c-]nc(C(F)(F)F)c2)n1)c1cccc(-n2[c-]nc(C(F)(F)F)c2)n1.[Pd+2]
• InChI: InChI=1S/C21H14F6N6.Pd/c1-19(2,13-5-3-7-17(30-13)32-9-15(28-11-32)20(22,23)24)14-6-4-8-18(31-14)33-10-16(29-12-33)21(25,26)27;/h3-10H,1-2H3;/q-2;+2
• InChIKey: DXHXITTVPVFCJM-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.79
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The IUPAC name of palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 58084556) is palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

What is the SMILES notation for palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The canonical SMILES for palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is CC(C)(c1cccc(-n2[c-]nc(C(F)(F)F)c2)n1)c1cccc(-n2[c-]nc(C(F)(F)F)c2)n1.[Pd+2].

What is the InChIKey of palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The InChIKey is DXHXITTVPVFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N6.Pd/c1-19(2,13-5-3-7-17(30-13)32-9-15(28-11-32)20(22,23)24)14-6-4-8-18(31-14)33-10-16(29-12-33)21(25,26)27;/h3-10H,1-2H3;/q-2;+2.

What are the key properties of palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 570.79 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for palladium(2+);2-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-6-[2-[6-[4-(trifluoromethyl)-2H-imidazol-2-id-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 58084556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).