mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)

C24H16F6HgN4O4 — CID 139055461

IUPACmercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Hg+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C2HF3O2.Hg/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*3-2(4,5)1(6)7;/h2*1-8H;2*(H,6,7);/q;;;;+2/p-2
InChIKeyIVZTXWQXHPYOGU-UHFFFAOYSA-L
MW738.99 g/mol
LogP2.88
Rot. Bonds2

About mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)

mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate) (PubChem CID 139055461) has the molecular formula C24H16F6HgN4O4 and a molecular weight of 738.99 g/mol. Its IUPAC name is mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate).

Molecular Properties

Compound Namemercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)
PubChem CID139055461
Molecular FormulaC24H16F6HgN4O4
Molecular Weight738.99 g/mol
Exact Mass740.08
IUPAC Namemercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)
SMILESO=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Hg+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C2HF3O2.Hg/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*3-2(4,5)1(6)7;/h2*1-8H;2*(H,6,7);/q;;;;+2/p-2
InChIKeyIVZTXWQXHPYOGU-UHFFFAOYSA-L
XLogP2.88
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500738.99
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
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
di-mu-trifluoroacetato-mu~3~-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')(trifluoroacetato-kappaO)iron(III)]
CID 139058954
Bis(2,2'-bipyridine-kappa^2^N,N')copper(I) trifluoromethanesulfonate
CID 139069240
Bis(2,2'-bipyridine-kappa^2^N,N')(carbonato-kappa^2^O,O')cobalt(III) trifluoromethanesulfonate
CID 139072585
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
Platinum(2+);bis(pyridine);2-pyridin-2-ylpyridine;bis(trifluoromethanesulfonate)
CID 139140728

Frequently Asked Questions

What is the IUPAC name of mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)?
The IUPAC name of mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate) (CID 139055461) is mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate).
What is the SMILES notation for mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)?
The canonical SMILES for mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate) is O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Hg+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)?
The InChIKey is IVZTXWQXHPYOGU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2C2HF3O2.Hg/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*3-2(4,5)1(6)7;/h2*1-8H;2*(H,6,7);/q;;;;+2/p-2.
What are the key properties of mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate)?
mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate) has a molecular weight of 738.99 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);bis(2-pyridin-2-ylpyridine);bis(2,2,2-trifluoroacetate) is sourced from PubChem (CID 139055461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).