copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate

C21H16CuF3N4O3S — CID 139069240

IUPACcopper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Cu+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CHF3O3S.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;/h2*1-8H;(H,5,6,7);/q;;;+1/p-1
InChIKeyJOOGGVWQEZJUBQ-UHFFFAOYSA-M
MW524.99 g/mol
LogP4.34
Rot. Bonds2

About copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate

copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate (PubChem CID 139069240) has the molecular formula C21H16CuF3N4O3S and a molecular weight of 524.99 g/mol. Its IUPAC name is copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate.

Molecular Properties

Compound Namecopper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate
PubChem CID139069240
Molecular FormulaC21H16CuF3N4O3S
Molecular Weight524.99 g/mol
Exact Mass524.02
IUPAC Namecopper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)F.[Cu+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.CHF3O3S.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;/h2*1-8H;(H,5,6,7);/q;;;+1/p-1
InChIKeyJOOGGVWQEZJUBQ-UHFFFAOYSA-M
XLogP4.34
TPSA108.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.99
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
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
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
[Fe(OTf)2(tpa)]
CID 53314868
[Fe(OTf)2(bpbp)]
CID 53314869

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate?
The IUPAC name of copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate (CID 139069240) is copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate.
What is the SMILES notation for copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate?
The canonical SMILES for copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate is O=S(=O)([O-])C(F)(F)F.[Cu+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate?
The InChIKey is JOOGGVWQEZJUBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.CHF3O3S.Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)8(5,6)7;/h2*1-8H;(H,5,6,7);/q;;;+1/p-1.
What are the key properties of copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate?
copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate has a molecular weight of 524.99 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(2-pyridin-2-ylpyridine);trifluoromethanesulfonate is sourced from PubChem (CID 139069240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).