iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate

C30H24Cl2FeN6O8 — CID 139057872

IUPACiron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate
SMILES[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClHO4.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyJJFYRRXOZJMNFC-UHFFFAOYSA-L
MW723.31 g/mol
LogP-3.08
Rot. Bonds3

About iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate

iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate (PubChem CID 139057872) has the molecular formula C30H24Cl2FeN6O8 and a molecular weight of 723.31 g/mol. Its IUPAC name is iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate.

Molecular Properties

Compound Nameiron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate
PubChem CID139057872
Molecular FormulaC30H24Cl2FeN6O8
Molecular Weight723.31 g/mol
Exact Mass722.04
IUPAC Nameiron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate
SMILES[Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/3C10H8N2.2ClHO4.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
InChIKeyJJFYRRXOZJMNFC-UHFFFAOYSA-L
XLogP-3.08
TPSA261.82 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.31
LogP ≤ 5-3.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
tris(2,2'-bipyridyl)cobalt(III)
CID 161059
Iron(2+), tris(2,2'-bipyridine-N,N')-, dichloride
CID 203609
Iron, tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-
CID 3032636
cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate
CID 2734543
cis-Bis(2,2'-bipyridyl)dichlororuthenium(II)
CID 6398695
cis-Bis(2,2'-bipyridine)dichlororuthenium(II) hydrate
CID 16211844
dichlorobis(2,2'-bipyridyl)chromium(III)
CID 147008
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Tris(2,2'-bipyridyl)-Fe(II) complex
CID 193497
2,2':6',2''-Terpyridine, 6,6'''-(1,6-hexanediyl)bis-
CID 3044372

Frequently Asked Questions

What is the IUPAC name of iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate?
The IUPAC name of iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate (CID 139057872) is iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate.
What is the SMILES notation for iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate?
The canonical SMILES for iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate is [Fe+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate?
The InChIKey is JJFYRRXOZJMNFC-UHFFFAOYSA-L. The full InChI is InChI=1S/3C10H8N2.2ClHO4.Fe/c3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2.
What are the key properties of iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate?
iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate has a molecular weight of 723.31 g/mol, XLogP of -3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);tris(2-pyridin-2-ylpyridine);diperchlorate is sourced from PubChem (CID 139057872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).