iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate

C24H22Cl2FeN10O8 — CID 139143150

IUPACiron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate
SMILESCc1cc(-n2cccn2)nc(-n2cccn2)c1.Cc1cc(-n2cccn2)nc(-n2cccn2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C12H11N5.2ClHO4.Fe/c2*1-10-8-11(16-6-2-4-13-16)15-12(9-10)17-7-3-5-14-17;2*2-1(3,4)5;/h2*2-9H,1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyBTAZGQOKFNUDAZ-UHFFFAOYSA-L
MW705.25 g/mol
LogP-5.99
Rot. Bonds4

About iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate

iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate (PubChem CID 139143150) has the molecular formula C24H22Cl2FeN10O8 and a molecular weight of 705.25 g/mol. Its IUPAC name is iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate.

Molecular Properties

Compound Nameiron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate
PubChem CID139143150
Molecular FormulaC24H22Cl2FeN10O8
Molecular Weight705.25 g/mol
Exact Mass704.03
IUPAC Nameiron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate
SMILESCc1cc(-n2cccn2)nc(-n2cccn2)c1.Cc1cc(-n2cccn2)nc(-n2cccn2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C12H11N5.2ClHO4.Fe/c2*1-10-8-11(16-6-2-4-13-16)15-12(9-10)17-7-3-5-14-17;2*2-1(3,4)5;/h2*2-9H,1H3;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyBTAZGQOKFNUDAZ-UHFFFAOYSA-L
XLogP-5.99
TPSA281.54 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.25
LogP ≤ 5-5.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate?
The IUPAC name of iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate (CID 139143150) is iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate.
What is the SMILES notation for iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate?
The canonical SMILES for iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate is Cc1cc(-n2cccn2)nc(-n2cccn2)c1.Cc1cc(-n2cccn2)nc(-n2cccn2)c1.[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate?
The InChIKey is BTAZGQOKFNUDAZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H11N5.2ClHO4.Fe/c2*1-10-8-11(16-6-2-4-13-16)15-12(9-10)17-7-3-5-14-17;2*2-1(3,4)5;/h2*2-9H,1H3;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate?
iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate has a molecular weight of 705.25 g/mol, XLogP of -5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(4-methyl-2,6-di(pyrazol-1-yl)pyridine);diperchlorate is sourced from PubChem (CID 139143150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).