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

C22H16ClCuN7O4 — CID 139058674

IUPACcopper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate
SMILESN#CN=C=[N-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C2N3.ClHO4.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;(H,2,3,4,5);/q;;-1;;+2/p-1
InChIKeyUZRPGKVXHCYXAT-UHFFFAOYSA-M
MW541.41 g/mol
LogP-0.26
Rot. Bonds2

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

copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate (PubChem CID 139058674) has the molecular formula C22H16ClCuN7O4 and a molecular weight of 541.41 g/mol. Its IUPAC name is copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate.

Molecular Properties

Compound Namecopper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate
PubChem CID139058674
Molecular FormulaC22H16ClCuN7O4
Molecular Weight541.41 g/mol
Exact Mass540.02
IUPAC Namecopper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate
SMILESN#CN=C=[N-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C2N3.ClHO4.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;(H,2,3,4,5);/q;;-1;;+2/p-1
InChIKeyUZRPGKVXHCYXAT-UHFFFAOYSA-M
XLogP-0.26
TPSA202.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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
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

Frequently Asked Questions

What is the IUPAC name of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate?
The IUPAC name of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate (CID 139058674) is copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate.
What is the SMILES notation for copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate?
The canonical SMILES for copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate is N#CN=C=[N-].[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate?
The InChIKey is UZRPGKVXHCYXAT-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.C2N3.ClHO4.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3-1-5-2-4;2-1(3,4)5;/h2*1-8H;;(H,2,3,4,5);/q;;-1;;+2/p-1.
What are the key properties of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate?
copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate has a molecular weight of 541.41 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);perchlorate is sourced from PubChem (CID 139058674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).