copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate

C28H20Cl2CuN8O8 — CID 139146365

IUPACcopper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.c1ccc(-c2ccc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C14H10N4.2ClHO4.Cu/c2*1-3-9-15-11(5-1)13-7-8-14(18-17-13)12-6-2-4-10-16-12;2*2-1(3,4)5;/h2*1-10H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyGPCXNIRXYRTAAM-UHFFFAOYSA-L
MW730.97 g/mol
LogP-4.31
Rot. Bonds4

About copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate

copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate (PubChem CID 139146365) has the molecular formula C28H20Cl2CuN8O8 and a molecular weight of 730.97 g/mol. Its IUPAC name is copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate.

Molecular Properties

Compound Namecopper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate
PubChem CID139146365
Molecular FormulaC28H20Cl2CuN8O8
Molecular Weight730.97 g/mol
Exact Mass729.01
IUPAC Namecopper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate
SMILES[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.c1ccc(-c2ccc(-c3ccccn3)nn2)nc1
InChIInChI=1S/2C14H10N4.2ClHO4.Cu/c2*1-3-9-15-11(5-1)13-7-8-14(18-17-13)12-6-2-4-10-16-12;2*2-1(3,4)5;/h2*1-10H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyGPCXNIRXYRTAAM-UHFFFAOYSA-L
XLogP-4.31
TPSA287.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.97
LogP ≤ 5-4.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

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Iron(2+), tris(2,2'-bipyridine-kappaN1,kappaN1')-, (OC-6-11)-, perchlorate (1:2)
CID 84889
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) chloride hexahydrate
CID 2724201
Tris(2,2-bipyridyl)ruthenium(II) chloride hexahydrate
CID 16211607
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Gold;bis(2-pyridin-2-ylpyridine);dihydrate
CID 71593220
Fe(bipy)3(clo4)3
CID 14342153

Frequently Asked Questions

What is the IUPAC name of copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate?
The IUPAC name of copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate (CID 139146365) is copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate.
What is the SMILES notation for copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate?
The canonical SMILES for copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate is [Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.c1ccc(-c2ccc(-c3ccccn3)nn2)nc1.
What is the InChIKey of copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate?
The InChIKey is GPCXNIRXYRTAAM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H10N4.2ClHO4.Cu/c2*1-3-9-15-11(5-1)13-7-8-14(18-17-13)12-6-2-4-10-16-12;2*2-1(3,4)5;/h2*1-10H;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate?
copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate has a molecular weight of 730.97 g/mol, XLogP of -4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(3,6-dipyridin-2-ylpyridazine);diperchlorate is sourced from PubChem (CID 139146365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).