cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate

C22H16CoF3N4O6S — CID 139072585

IUPACcobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate
SMILESO=C([O-])[O-].O=S(=O)([O-])C(F)(F)F.[Co+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CHF3O3S.CH2O3.Co/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;2-1(3)4;/h2*1-8H;(H,5,6,7);(H2,2,3,4);/q;;;;+3/p-3
InChIKeyTVXSAYXWEYXIPN-UHFFFAOYSA-K
MW580.39 g/mol
LogP1.89
Rot. Bonds2

About cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate

cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate (PubChem CID 139072585) has the molecular formula C22H16CoF3N4O6S and a molecular weight of 580.39 g/mol. Its IUPAC name is cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate.

Molecular Properties

Compound Namecobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate
PubChem CID139072585
Molecular FormulaC22H16CoF3N4O6S
Molecular Weight580.39 g/mol
Exact Mass580.01
IUPAC Namecobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate
SMILESO=C([O-])[O-].O=S(=O)([O-])C(F)(F)F.[Co+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CHF3O3S.CH2O3.Co/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;2-1(3)4;/h2*1-8H;(H,5,6,7);(H2,2,3,4);/q;;;;+3/p-3
InChIKeyTVXSAYXWEYXIPN-UHFFFAOYSA-K
XLogP1.89
TPSA171.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)
CID 139055461
di-mu-trifluoroacetato-mu~3~-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')(trifluoroacetato-kappaO)iron(III)]
CID 139058954
2,2'-Bipyridyl-9-boroniumbicyclo[3.3.1]nonane trifluoromethanesulfonate
CID 139064871
Di-mu-hydroxo-bis[(2,2'-bipyridine)palladium(II)] trifluoromethanesulfonate
CID 139069164
Bis(2,2'-bipyridine-kappa^2^N,N')copper(I) trifluoromethanesulfonate
CID 139069240
Bis(4,4'-di-tert-butyl-2,2'-bipyridine-kappa^2^N,N')silver(I) trifluoromethanesulfonate
CID 139072979

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate?
The IUPAC name of cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate (CID 139072585) is cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate.
What is the SMILES notation for cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate?
The canonical SMILES for cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate is O=C([O-])[O-].O=S(=O)([O-])C(F)(F)F.[Co+3].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate?
The InChIKey is TVXSAYXWEYXIPN-UHFFFAOYSA-K. The full InChI is InChI=1S/2C10H8N2.CHF3O3S.CH2O3.Co/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;2-1(3)4;/h2*1-8H;(H,5,6,7);(H2,2,3,4);/q;;;;+3/p-3.
What are the key properties of cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate?
cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate has a molecular weight of 580.39 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate;carbonate is sourced from PubChem (CID 139072585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).