copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate

C21H16ClCuN5O5 — CID 139053507

IUPACcopper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate
SMILESN#C[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CHNO.ClHO4.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1-3;2-1(3,4)5;/h2*1-8H;3H;(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyBQIWJRMIVNWILJ-UHFFFAOYSA-L
MW517.39 g/mol
LogP-1.64
Rot. Bonds2

About copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate

copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate (PubChem CID 139053507) has the molecular formula C21H16ClCuN5O5 and a molecular weight of 517.39 g/mol. Its IUPAC name is copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate.

Molecular Properties

Compound Namecopper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate
PubChem CID139053507
Molecular FormulaC21H16ClCuN5O5
Molecular Weight517.39 g/mol
Exact Mass516.01
IUPAC Namecopper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate
SMILESN#C[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CHNO.ClHO4.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1-3;2-1(3,4)5;/h2*1-8H;3H;(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyBQIWJRMIVNWILJ-UHFFFAOYSA-L
XLogP-1.64
TPSA190.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.39
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
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
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
dichlorobis(2,2'-bipyridyl)chromium(III)
CID 147008
1H-1,4,7-Triazonine, octahydro-1,4,7-tris(2-pyridinylmethyl)-
CID 12146755
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate?
The IUPAC name of copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate (CID 139053507) is copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate.
What is the SMILES notation for copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate?
The canonical SMILES for copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate is N#C[O-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate?
The InChIKey is BQIWJRMIVNWILJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.CHNO.ClHO4.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1-3;2-1(3,4)5;/h2*1-8H;3H;(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate?
copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate has a molecular weight of 517.39 g/mol, XLogP of -1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-pyridin-2-ylpyridine);cyanate;perchlorate is sourced from PubChem (CID 139053507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).