copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate

C19H19CuN3O5 — CID 139207056

IUPACcopper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Cu+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.2C2H4O2.Cu.H2O/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2(3)4;;/h1-11H;2*1H3,(H,3,4);;1H2/q;;;+2;/p-2
InChIKeySSBSTNLNZYRKJK-UHFFFAOYSA-L
MW432.92 g/mol
LogP-0.11
Rot. Bonds2

About copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate

copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate (PubChem CID 139207056) has the molecular formula C19H19CuN3O5 and a molecular weight of 432.92 g/mol. Its IUPAC name is copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate.

Molecular Properties

Compound Namecopper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
PubChem CID139207056
Molecular FormulaC19H19CuN3O5
Molecular Weight432.92 g/mol
Exact Mass432.06
IUPAC Namecopper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Cu+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.2C2H4O2.Cu.H2O/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2(3)4;;/h1-11H;2*1H3,(H,3,4);;1H2/q;;;+2;/p-2
InChIKeySSBSTNLNZYRKJK-UHFFFAOYSA-L
XLogP-0.11
TPSA150.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
cobalt(2+);3-deuterio-2-pyridin-2-ylpyridine;diacetate
CID 175778611
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate
CID 139203194
tricopper;bis(acetonitrile);bis(2,6-bis[1-[[4-[(3-pyridin-2-ylpyrazol-1-yl)methyl]phenyl]methyl]pyrazol-3-yl]pyridine);diacetate;tetrahexafluorophosphate
CID 139175003
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
dioxidanium;bis((Z)-but-2-enedioate);nickel;tetrakis(2-pyridin-2-ylpyridine);tridecahydrate
CID 139075709
dicopper;bis(2-pyridin-2-ylpyridine);diselenite;hexahydrate
CID 139126662
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
2,6-dipyridin-2-ylpyridine;trichlorovanadium
CID 20784145
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745

Frequently Asked Questions

What is the IUPAC name of copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate?
The IUPAC name of copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate (CID 139207056) is copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate.
What is the SMILES notation for copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate?
The canonical SMILES for copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate is CC(=O)[O-].CC(=O)[O-].O.[Cu+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate?
The InChIKey is SSBSTNLNZYRKJK-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H11N3.2C2H4O2.Cu.H2O/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2(3)4;;/h1-11H;2*1H3,(H,3,4);;1H2/q;;;+2;/p-2.
What are the key properties of copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate?
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate has a molecular weight of 432.92 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate is sourced from PubChem (CID 139207056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).