copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate

C22H16CuF6N4O3 — CID 139126663

IUPACcopper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate
SMILESO.O=c1[n-]cccc1C(F)(F)F.O=c1[n-]cccc1C(F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C6H4F3NO.Cu.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-6(8,9)4-2-1-3-10-5(4)11;;/h1-8H;2*1-3H,(H,10,11);;1H2/q;;;+2;/p-2
InChIKeyBPLOMRPEEWWSSW-UHFFFAOYSA-L
MW561.93 g/mol
LogP3.36
Rot. Bonds1

About copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate

copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate (PubChem CID 139126663) has the molecular formula C22H16CuF6N4O3 and a molecular weight of 561.93 g/mol. Its IUPAC name is copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate.

Molecular Properties

Compound Namecopper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate
PubChem CID139126663
Molecular FormulaC22H16CuF6N4O3
Molecular Weight561.93 g/mol
Exact Mass561.04
IUPAC Namecopper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate
SMILESO.O=c1[n-]cccc1C(F)(F)F.O=c1[n-]cccc1C(F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.2C6H4F3NO.Cu.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-6(8,9)4-2-1-3-10-5(4)11;;/h1-8H;2*1-3H,(H,10,11);;1H2/q;;;+2;/p-2
InChIKeyBPLOMRPEEWWSSW-UHFFFAOYSA-L
XLogP3.36
TPSA119.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.93
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyridin-2-one
CID 75461930
neodymium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate)
CID 139172086
praseodymium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate)
CID 139172087
cerium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-5,5-dimethyl-4-oxohex-2-en-2-olate)
CID 139172088
tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(2,2'-bipyridine-N,N')-Dysprosium(III)
CID 139201595
tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bipyridine)erbium(III)
CID 168354687
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
CID 20807186
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;pyridine-2-carbonyl-(2,2,2-trifluoroacetyl)azanide
CID 20807189
2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;2-pyrazin-2-yl-6-(trifluoromethyl)pyridin-1-id-4-one
CID 20807268
2-[2,4-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;1-pyridin-2-ylethyl-(2,2,2-trifluoroacetyl)azanide
CID 20807273
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methylpyridine;iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
CID 20807279
2-(2,4-difluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;iridium;pyridin-2-ylmethyl-(2,2,2-trifluoroacetyl)azanide
CID 20807351

Frequently Asked Questions

What is the IUPAC name of copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate?
The IUPAC name of copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate (CID 139126663) is copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate.
What is the SMILES notation for copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate?
The canonical SMILES for copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate is O.O=c1[n-]cccc1C(F)(F)F.O=c1[n-]cccc1C(F)(F)F.[Cu+2].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate?
The InChIKey is BPLOMRPEEWWSSW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.2C6H4F3NO.Cu.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-6(8,9)4-2-1-3-10-5(4)11;;/h1-8H;2*1-3H,(H,10,11);;1H2/q;;;+2;/p-2.
What are the key properties of copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate?
copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate has a molecular weight of 561.93 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-pyridin-2-ylpyridine;bis(3-(trifluoromethyl)pyridin-1-id-2-one);hydrate is sourced from PubChem (CID 139126663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).