zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)

C22H16F6N4O6S2Zn — CID 139048111

IUPACzinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.Zn/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;/h2*1-8H;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyXDJMEGIZISHVMR-UHFFFAOYSA-L
MW675.90 g/mol
LogP4.39
Rot. Bonds2

About zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)

zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) (PubChem CID 139048111) has the molecular formula C22H16F6N4O6S2Zn and a molecular weight of 675.90 g/mol. Its IUPAC name is zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namezinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
PubChem CID139048111
Molecular FormulaC22H16F6N4O6S2Zn
Molecular Weight675.90 g/mol
Exact Mass673.97
IUPAC Namezinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.Zn/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;/h2*1-8H;2*(H,5,6,7);/q;;;;+2/p-2
InChIKeyXDJMEGIZISHVMR-UHFFFAOYSA-L
XLogP4.39
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.90
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', '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
Copper;tetrakis(pyridine);bis(trifluoromethanesulfonate)
CID 139159651
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
[Fe(OTf)2(tpa)]
CID 53314868
[Fe(OTf)2(bpbp)]
CID 53314869
iron(2+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(trifluoromethanesulfonate)
CID 53350275
Bis(palladium);bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydrate
CID 135085357
2-Pyridin-2-ylpyridine;triphenyl-bis(trifluoromethylsulfonyloxy)bismuth
CID 138974233

Frequently Asked Questions

What is the IUPAC name of zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
The IUPAC name of zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) (CID 139048111) is zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate).
What is the SMILES notation for zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
The canonical SMILES for zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Zn+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
The InChIKey is XDJMEGIZISHVMR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2CHF3O3S.Zn/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;/h2*1-8H;2*(H,5,6,7);/q;;;;+2/p-2.
What are the key properties of zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) has a molecular weight of 675.90 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139048111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).