bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate

C30H16Cl8FeN6O8 — CID 139038760

About bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate

bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate (PubChem CID 139038760) has the molecular formula C30H16Cl8FeN6O8 and a molecular weight of 927.96 g/mol. Its IUPAC name is bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate.

Molecular Properties

• Compound Name: bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate
• PubChem CID: 139038760
• Molecular Formula: C30H16Cl8FeN6O8
• Molecular Weight: 927.96 g/mol
• Exact Mass: 923.79
• IUPAC Name: bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate
• SMILES: Clc1ccnc(-c2cc(Cl)cc(-c3cc(Cl)ccn3)n2)c1.Clc1ccnc(-c2cc(Cl)cc(-c3cc(Cl)ccn3)n2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C15H8Cl3N3.2ClHO4.Fe/c2*16-9-1-3-19-12(5-9)14-7-11(18)8-15(21-14)13-6-10(17)2-4-20-13;2*2-1(3,4)5;/h2*1-8H;2*(H,2,3,4,5);/q;;;;+2/p-2
• InChIKey: OIXGZLBQFWJDHD-UHFFFAOYSA-L
• XLogP: 0.82
• TPSA: 261.82 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.96
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate?

The IUPAC name of bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate (CID 139038760) is bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate.

What is the SMILES notation for bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate?

The canonical SMILES for bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate is Clc1ccnc(-c2cc(Cl)cc(-c3cc(Cl)ccn3)n2)c1.Clc1ccnc(-c2cc(Cl)cc(-c3cc(Cl)ccn3)n2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate?

The InChIKey is OIXGZLBQFWJDHD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H8Cl3N3.2ClHO4.Fe/c2*16-9-1-3-19-12(5-9)14-7-11(18)8-15(21-14)13-6-10(17)2-4-20-13;2*2-1(3,4)5;/h2*1-8H;2*(H,2,3,4,5);/q;;;;+2/p-2.

What are the key properties of bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate?

bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate has a molecular weight of 927.96 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine);iron(2+);diperchlorate is sourced from PubChem (CID 139038760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).