cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate

C22H16CoN6O2 — CID 139074463

IUPACcobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
SMILESN#C[O-].N#C[O-].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHNO.Co/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;/h2*1-8H;2*3H;/q;;;;+2/p-2
InChIKeyDGHRRLHFUWLRON-UHFFFAOYSA-L
MW455.34 g/mol
LogP1.94
Rot. Bonds2

About cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate

cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate (PubChem CID 139074463) has the molecular formula C22H16CoN6O2 and a molecular weight of 455.34 g/mol. Its IUPAC name is cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate.

Molecular Properties

Compound Namecobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
PubChem CID139074463
Molecular FormulaC22H16CoN6O2
Molecular Weight455.34 g/mol
Exact Mass455.07
IUPAC Namecobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate
SMILESN#C[O-].N#C[O-].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHNO.Co/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;/h2*1-8H;2*3H;/q;;;;+2/p-2
InChIKeyDGHRRLHFUWLRON-UHFFFAOYSA-L
XLogP1.94
TPSA145.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
pyrrolo[3,2-b]azepine
CID 66934182
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
dichlororuthenium;tris(2-pyridin-2-ylpyridine);pentahydrate
CID 173206951
palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate?
The IUPAC name of cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate (CID 139074463) is cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate.
What is the SMILES notation for cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate?
The canonical SMILES for cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate is N#C[O-].N#C[O-].[Co+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate?
The InChIKey is DGHRRLHFUWLRON-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2CHNO.Co/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1-3;/h2*1-8H;2*3H;/q;;;;+2/p-2.
What are the key properties of cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate?
cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate has a molecular weight of 455.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-pyridin-2-ylpyridine);dicyanate is sourced from PubChem (CID 139074463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).