bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium

C22H16F6N4O8S2U-6 — CID 139180750

IUPACbis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[U].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.2O.U/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*-2;/p-2
InChIKeyOGNCEYNSHBHITF-UHFFFAOYSA-L
MW880.54 g/mol
LogP4.15
Rot. Bonds2

About bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium

bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium (PubChem CID 139180750) has the molecular formula C22H16F6N4O8S2U-6 and a molecular weight of 880.54 g/mol. Its IUPAC name is bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium.

Molecular Properties

Compound Namebis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium
PubChem CID139180750
Molecular FormulaC22H16F6N4O8S2U-6
Molecular Weight880.54 g/mol
Exact Mass880.09
IUPAC Namebis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[U].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.2O.U/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*-2;/p-2
InChIKeyOGNCEYNSHBHITF-UHFFFAOYSA-L
XLogP4.15
TPSA222.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500880.54
LogP ≤ 54.15
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

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
bis(1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine);iron(2+);iron(3+);oxygen(2-);bis(trifluoromethanesulfonate);hydroxide
CID 53314875
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
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
[Co(bpyPY2Me)(MeCN)(OTf)](OTf)
CID 139042184

Frequently Asked Questions

What is the IUPAC name of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium?
The IUPAC name of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium (CID 139180750) is bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium.
What is the SMILES notation for bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium?
The canonical SMILES for bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[O-2].[O-2].[U].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium?
The InChIKey is OGNCEYNSHBHITF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2CHF3O3S.2O.U/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*-2;/p-2.
What are the key properties of bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium?
bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium has a molecular weight of 880.54 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxygen(2-));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);uranium is sourced from PubChem (CID 139180750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).