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

C22H16CuF6N4O6S2 — CID 139200433

IUPACcopper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.Cu/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
InChIKeyOJRLVYGNHUXIIY-UHFFFAOYSA-L
MW674.06 g/mol
LogP4.39
Rot. Bonds2

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

copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) (PubChem CID 139200433) has the molecular formula C22H16CuF6N4O6S2 and a molecular weight of 674.06 g/mol. Its IUPAC name is copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
PubChem CID139200433
Molecular FormulaC22H16CuF6N4O6S2
Molecular Weight674.06 g/mol
Exact Mass672.97
IUPAC Namecopper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2CHF3O3S.Cu/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
InChIKeyOJRLVYGNHUXIIY-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 ≤ 500674.06
LogP ≤ 54.39
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

iridium(3+);bis(2-phenylpyridine);trifluoromethanesulfonate;dihydroxide
CID 74220779
bis((1Z,5Z)-cycloocta-1,5-diene);bis(2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine);bis(ruthenium(2+));bis(trifluoromethanesulfonate)
CID 139169569
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
CID 134886226
CID 134886226
acetonitrile;cobalt(2+);2-pyridin-2-yl-6-[1-pyridin-2-yl-1-(6-pyridin-2-yl-2-pyridinyl)ethyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042422
CID 154704206
CID 154704206
dilithium;disilver;bis(diethyl phosphite);2-(5-pyridin-2-ylpyrrol-1-id-2-yl)pyridine;trifluoromethanesulfonate
CID 139163298
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
CID 139126662
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
The IUPAC name of copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) (CID 139200433) is copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
The InChIKey is OJRLVYGNHUXIIY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2CHF3O3S.Cu/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 copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)?
copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) has a molecular weight of 674.06 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 copper;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139200433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).