copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)

C18H18CuF6N4O6S2 — CID 139075450

IUPACcopper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)
SMILESC/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C16H18N4.2CHF3O3S.Cu/c1-13(15-7-3-5-9-19-15)17-11-12-18-14(2)16-8-4-6-10-20-16;2*2-1(3,4)8(5,6)7;/h3-10H,11-12H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/b17-13+,18-14+;;;
InChIKeyBWDJDMUXTRVNQH-SQOWISFMSA-L
MW628.03 g/mol
LogP2.90
Rot. Bonds5

About copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)

copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate) (PubChem CID 139075450) has the molecular formula C18H18CuF6N4O6S2 and a molecular weight of 628.03 g/mol. Its IUPAC name is copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namecopper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)
PubChem CID139075450
Molecular FormulaC18H18CuF6N4O6S2
Molecular Weight628.03 g/mol
Exact Mass626.99
IUPAC Namecopper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)
SMILESC/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C16H18N4.2CHF3O3S.Cu/c1-13(15-7-3-5-9-19-15)17-11-12-18-14(2)16-8-4-6-10-20-16;2*2-1(3,4)8(5,6)7;/h3-10H,11-12H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/b17-13+,18-14+;;;
InChIKeyBWDJDMUXTRVNQH-SQOWISFMSA-L
XLogP2.90
TPSA164.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500628.03
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate) with MolForge

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Related Compounds

1-Butyl-2-methylpyridinium bis(trifluoromethylsulfonyl)imide
CID 121235095
2,2'-Bipyridine; ((trifluoromethyl)sulfanyl)copper
CID 155885012
N,N'-difluoro-2,2'-bipyridinium bis(trifluoromethane-sulfonate)
CID 10814995
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;manganese(2+);bis(trifluoromethanesulfonate)
CID 24897125
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53313418
[Fe(OTf)2(mcp)]
CID 53314867
[Fe(OTf)2(tpa)]
CID 53314868
[Fe(OTf)2(bpbp)]
CID 53314869
1,4-Dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;nickel(2+);bis(trifluoromethanesulfonate)
CID 53314870
Cobalt(2+);1,4-dimethyl-7-(pyridin-2-ylmethyl)-1,4,7-triazonane;bis(trifluoromethanesulfonate)
CID 53314871
Acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53314872
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53314874

Frequently Asked Questions

What is the IUPAC name of copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)?
The IUPAC name of copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate) (CID 139075450) is copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate).
What is the SMILES notation for copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)?
The canonical SMILES for copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate) is C/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cu+2].
What is the InChIKey of copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)?
The InChIKey is BWDJDMUXTRVNQH-SQOWISFMSA-L. The full InChI is InChI=1S/C16H18N4.2CHF3O3S.Cu/c1-13(15-7-3-5-9-19-15)17-11-12-18-14(2)16-8-4-6-10-20-16;2*2-1(3,4)8(5,6)7;/h3-10H,11-12H2,1-2H3;2*(H,5,6,7);/q;;;+2/p-2/b17-13+,18-14+;;;.
What are the key properties of copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate)?
copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate) has a molecular weight of 628.03 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).