copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate

C24H22CuN4O5 — CID 139042690

IUPACcopper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Cu+2].c1ccc(-c2cc(-c3ccncc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H14N4.2C2H4O2.Cu.H2O/c1-3-9-22-17(5-1)19-13-16(15-7-11-21-12-8-15)14-20(24-19)18-6-2-4-10-23-18;2*1-2(3)4;;/h1-14H;2*1H3,(H,3,4);;1H2/q;;;+2;/p-2
InChIKeyPPQXQPHUILPZAH-UHFFFAOYSA-L
MW510.01 g/mol
LogP0.95
Rot. Bonds3

About copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate

copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate (PubChem CID 139042690) has the molecular formula C24H22CuN4O5 and a molecular weight of 510.01 g/mol. Its IUPAC name is copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate.

Molecular Properties

Compound Namecopper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate
PubChem CID139042690
Molecular FormulaC24H22CuN4O5
Molecular Weight510.01 g/mol
Exact Mass509.09
IUPAC Namecopper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Cu+2].c1ccc(-c2cc(-c3ccncc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H14N4.2C2H4O2.Cu.H2O/c1-3-9-22-17(5-1)19-13-16(15-7-11-21-12-8-15)14-20(24-19)18-6-2-4-10-23-18;2*1-2(3)4;;/h1-14H;2*1H3,(H,3,4);;1H2/q;;;+2;/p-2
InChIKeyPPQXQPHUILPZAH-UHFFFAOYSA-L
XLogP0.95
TPSA163.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.01
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5494444
bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)
CID 139055461
di-mu-trifluoroacetato-mu~3~-oxo-bis[(2,2'-bipyridine-kappa^2^N,N')(trifluoroacetato-kappaO)iron(III)]
CID 139058954
((2,2'-bipyridine)silver(i)(Trifluoroacetate))
CID 139160984
mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate
CID 139197159
mu-aqua-mu-hydroxo-mu-propionato-kappa2-O1,O2-bis(5,5'-dimethyl-2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate
CID 139197163
2,6-Dipyridin-2-ylpyridine;propan-2-one;pyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
CID 168348690
Gold;bis(2-pyridin-2-ylpyridine);dihydrate
CID 71593220
Bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);gold;dihydrate
CID 71593225
ron(2+), tris(4,4a(2)-dimethyl-2,2a(2)-bipyridine-I masculineN1,I masculineN1a(2))-, (OC-6-11)-, perchlorate (1:2)
CID 165360862
2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate
CID 24202574
Copper-bispyridylpyrrolide
CID 129826835

Frequently Asked Questions

What is the IUPAC name of copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate?
The IUPAC name of copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate (CID 139042690) is copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate.
What is the SMILES notation for copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate?
The canonical SMILES for copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate is CC(=O)[O-].CC(=O)[O-].O.[Cu+2].c1ccc(-c2cc(-c3ccncc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate?
The InChIKey is PPQXQPHUILPZAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H14N4.2C2H4O2.Cu.H2O/c1-3-9-22-17(5-1)19-13-16(15-7-11-21-12-8-15)14-20(24-19)18-6-2-4-10-23-18;2*1-2(3)4;;/h1-14H;2*1H3,(H,3,4);;1H2/q;;;+2;/p-2.
What are the key properties of copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate?
copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate has a molecular weight of 510.01 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine;diacetate;hydrate is sourced from PubChem (CID 139042690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).