Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate

C₂₆H₂₆Cl₂FeN₁₀O₈ — CID 139152568

About Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate

Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate (PubChem CID 139152568) has the molecular formula C₂₆H₂₆Cl₂FeN₁₀O₈ and a molecular weight of 733.31 g/mol. Its IUPAC name is bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate.

Molecular Properties

• Compound Name: Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate
• PubChem CID: 139152568
• Molecular Formula: C₂₆H₂₆Cl₂FeN₁₀O₈
• Molecular Weight: 733.31 g/mol
• Exact Mass: 732.07
• IUPAC Name: bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate
• SMILES: Cc1cnn(-c2cccc(-n3cc(C)cn3)n2)c1.Cc1cnn(-c2cccc(-n3cc(C)cn3)n2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C13H13N5.2ClHO4.Fe/c2*1-10-6-14-17(8-10)12-4-3-5-13(16-12)18-9-11(2)7-15-18;2*2-1(3,4)5;/h2*3-9H,1-2H3;2*(H,2,3,4,5);/q;;;;+2/p-2
• InChIKey: SDPPWCSOECEBAL-UHFFFAOYSA-L
• XLogP: -5.37
• TPSA: 281.54 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	733.31
LogP ≤ 5	-5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate?

The IUPAC name of Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate (CID 139152568) is bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate.

What is the SMILES notation for Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate?

The canonical SMILES for Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate is Cc1cnn(-c2cccc(-n3cc(C)cn3)n2)c1.Cc1cnn(-c2cccc(-n3cc(C)cn3)n2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate?

The InChIKey is SDPPWCSOECEBAL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H13N5.2ClHO4.Fe/c2*1-10-6-14-17(8-10)12-4-3-5-13(16-12)18-9-11(2)7-15-18;2*2-1(3,4)5;/h2*3-9H,1-2H3;2*(H,2,3,4,5);/q;;;;+2/p-2.

What are the key properties of Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate?

Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate has a molecular weight of 733.31 g/mol, XLogP of -5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine);iron(2+);diperchlorate is sourced from PubChem (CID 139152568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139152568 — identifiers, structure, computed properties (public domain)

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