palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)

C22H20F6N4O6PdS2 — CID 139140724

IUPACpalladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.2CHF3O3S.Pd/c4*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h4*1-5H;2*(H,5,6,7);/q;;;;;;+2/p-2
InChIKeyMIMXXVSXEIGSHW-UHFFFAOYSA-L
MW720.97 g/mol
LogP4.43
Rot. Bonds

About palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)

palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate) (PubChem CID 139140724) has the molecular formula C22H20F6N4O6PdS2 and a molecular weight of 720.97 g/mol. Its IUPAC name is palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namepalladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)
PubChem CID139140724
Molecular FormulaC22H20F6N4O6PdS2
Molecular Weight720.97 g/mol
Exact Mass719.98
IUPAC Namepalladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.2CHF3O3S.Pd/c4*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h4*1-5H;2*(H,5,6,7);/q;;;;;;+2/p-2
InChIKeyMIMXXVSXEIGSHW-UHFFFAOYSA-L
XLogP4.43
TPSA165.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.97
LogP ≤ 54.43
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

Phenyl-di(pyridin-1-ium-1-yl)-lambda3-iodane;bis(trifluoromethanesulfonate)
CID 10941368
tetrakis(pyridine)silver(II)
CID 6857629
Copper;tetrakis(pyridine);bis(trifluoromethanesulfonate)
CID 139159651
Tetrakis(Pyridine)Silver(I) Dichromate
CID 24212206
Rhodium(1+), dichlorotetrakis(pyridine)-, chloride
CID 159721
[Fe(OTf)2(tpa)]
CID 53314868
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53314874
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
Tris-[4-(dimethylamino)pyridinium]-phosphine tris(trifluoromethanesulfonate)
CID 86583131
Iodo trifluoromethanesulfonate;bis(pyridine)
CID 134991134
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

Frequently Asked Questions

What is the IUPAC name of palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)?
The IUPAC name of palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate) (CID 139140724) is palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate).
What is the SMILES notation for palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)?
The canonical SMILES for palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Pd+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)?
The InChIKey is MIMXXVSXEIGSHW-UHFFFAOYSA-L. The full InChI is InChI=1S/4C5H5N.2CHF3O3S.Pd/c4*1-2-4-6-5-3-1;2*2-1(3,4)8(5,6)7;/h4*1-5H;2*(H,5,6,7);/q;;;;;;+2/p-2.
What are the key properties of palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate)?
palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate) has a molecular weight of 720.97 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);tetrakis(pyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139140724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).