iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate

C38H28Cl2FeN8O8 — CID 139173830

About iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate

iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139173830) has the molecular formula C38H28Cl2FeN8O8 and a molecular weight of 851.44 g/mol. Its IUPAC name is iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

• Compound Name: iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate
• PubChem CID: 139173830
• Molecular Formula: C38H28Cl2FeN8O8
• Molecular Weight: 851.44 g/mol
• Exact Mass: 850.08
• IUPAC Name: iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate
• SMILES: [Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccn(-c3cccc(-c4ccccn4)n3)n2)cc1.c1ccc(-c2ccn(-c3cccc(-c4ccccn4)n3)n2)cc1
• InChI: InChI=1S/2C19H14N4.2ClHO4.Fe/c2*1-2-7-15(8-3-1)16-12-14-23(22-16)19-11-6-10-18(21-19)17-9-4-5-13-20-17;2*2-1(3,4)5;/h2*1-14H;2*(H,2,3,4,5);/q;;;;+2/p-2
• InChIKey: JNMNMEHTNFWDCO-UHFFFAOYSA-L
• XLogP: -1.52
• TPSA: 271.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.44
LogP ≤ 5	-1.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate?

The IUPAC name of iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate (CID 139173830) is iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate.

What is the SMILES notation for iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate?

The canonical SMILES for iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate is [Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccn(-c3cccc(-c4ccccn4)n3)n2)cc1.c1ccc(-c2ccn(-c3cccc(-c4ccccn4)n3)n2)cc1.

What is the InChIKey of iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate?

The InChIKey is JNMNMEHTNFWDCO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H14N4.2ClHO4.Fe/c2*1-2-7-15(8-3-1)16-12-14-23(22-16)19-11-6-10-18(21-19)17-9-4-5-13-20-17;2*2-1(3,4)5;/h2*1-14H;2*(H,2,3,4,5);/q;;;;+2/p-2.

What are the key properties of iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate?

iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 851.44 g/mol, XLogP of -1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for iron(2+);bis(2-(3-phenylpyrazol-1-yl)-6-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139173830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).