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

C22H16BCuF4N7 — CID 139058173

IUPACcopper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate
SMILESF[B-](F)(F)F.N#CN=C=[N-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C2N3.BF4.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;;;/q;;2*-1;+2
InChIKeyXZXMRYMBIYAXNB-UHFFFAOYSA-N
MW528.77 g/mol
LogP5.80
Rot. Bonds2

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

copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate (PubChem CID 139058173) has the molecular formula C22H16BCuF4N7 and a molecular weight of 528.77 g/mol. Its IUPAC name is copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate.

Molecular Properties

Compound Namecopper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate
PubChem CID139058173
Molecular FormulaC22H16BCuF4N7
Molecular Weight528.77 g/mol
Exact Mass528.08
IUPAC Namecopper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate
SMILESF[B-](F)(F)F.N#CN=C=[N-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.C2N3.BF4.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;;;/q;;2*-1;+2
InChIKeyXZXMRYMBIYAXNB-UHFFFAOYSA-N
XLogP5.80
TPSA110.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.77
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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
cis-Bis(2,2'-bipyridyl)dichlororuthenium(II)
CID 6398695
Tris(2,2'-bipyridine)ruthenium(II) Bis(hexafluorophosphate)
CID 15198703
Tris(2,2'-bipyridyl-d8)ruthenium(II) hexafluorophosphate
CID 71311090
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
Ruthenium(2+), dichlorotetrakis(2-pyridyl)-, dihydrate (Z)-
CID 3054377
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
Tris(2,2'-bipyridine)cobalt(II) Bis(hexafluorophosphate)
CID 15610156
Tris(2,2'-bipyridine)iron(II) hexafluoro-phosphat
CID 45045670

Frequently Asked Questions

What is the IUPAC name of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate?
The IUPAC name of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate (CID 139058173) is copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate.
What is the SMILES notation for copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate?
The canonical SMILES for copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate is F[B-](F)(F)F.N#CN=C=[N-].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate?
The InChIKey is XZXMRYMBIYAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2.C2N3.BF4.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;;;/q;;2*-1;+2.
What are the key properties of copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate?
copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate has a molecular weight of 528.77 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;cyanoiminomethylideneazanide;bis(2-pyridin-2-ylpyridine);tetrafluoroborate is sourced from PubChem (CID 139058173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).