Dicopper;tetrakis(pyridin-3-ol);tetraacetate

Name: Dicopper;tetrakis(pyridin-3-ol);tetraacetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₃₂Cu₂N₄O₁₂ — CID 139067074

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACdicopper;tetrakis(pyridin-3-ol);tetraacetate

SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.[Cu+2].[Cu+2]

InChIInChI=1S/4C5H5NO.4C2H4O2.2Cu/c4*7-5-2-1-3-6-4-5;4*1-2(3)4;;/h4*1-4,7H;4*1H3,(H,3,4);;/q;;;;;;;;2*+2/p-4

InChIKeyZCTIEUJYHQOLFZ-UHFFFAOYSA-J

MW743.67 g/mol

LogP-1.83

Rot. Bonds

About Dicopper;tetrakis(pyridin-3-ol);tetraacetate

Dicopper;tetrakis(pyridin-3-ol);tetraacetate (PubChem CID 139067074) has the molecular formula C₂₈H₃₂Cu₂N₄O₁₂ and a molecular weight of 743.67 g/mol. Its IUPAC name is dicopper;tetrakis(pyridin-3-ol);tetraacetate.

Molecular Properties

Compound Name	Dicopper;tetrakis(pyridin-3-ol);tetraacetate
PubChem CID	139067074
Molecular Formula	C₂₈H₃₂Cu₂N₄O₁₂
Molecular Weight	743.67 g/mol
Exact Mass	742.06
IUPAC Name	dicopper;tetrakis(pyridin-3-ol);tetraacetate
SMILES	CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.[Cu+2].[Cu+2]
InChI	InChI=1S/4C5H5NO.4C2H4O2.2Cu/c47-5-2-1-3-6-4-5;41-2(3)4;;/h41-4,7H;41H3,(H,3,4);;/q;;;;;;;;2*+2/p-4
InChIKey	ZCTIEUJYHQOLFZ-UHFFFAOYSA-J
XLogP	-1.83
TPSA	293.00 Å²
H-Bond Donors	4
H-Bond Acceptors	16
Rotatable Bonds
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.67
LogP ≤ 5	-1.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of Dicopper;tetrakis(pyridin-3-ol);tetraacetate?

The IUPAC name of Dicopper;tetrakis(pyridin-3-ol);tetraacetate (CID 139067074) is dicopper;tetrakis(pyridin-3-ol);tetraacetate.

What is the SMILES notation for Dicopper;tetrakis(pyridin-3-ol);tetraacetate?

The canonical SMILES for Dicopper;tetrakis(pyridin-3-ol);tetraacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.Oc1cccnc1.[Cu+2].[Cu+2].

What is the InChIKey of Dicopper;tetrakis(pyridin-3-ol);tetraacetate?

The InChIKey is ZCTIEUJYHQOLFZ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H5NO.4C2H4O2.2Cu/c4*7-5-2-1-3-6-4-5;4*1-2(3)4;;/h4*1-4,7H;4*1H3,(H,3,4);;/q;;;;;;;;2*+2/p-4.

What are the key properties of Dicopper;tetrakis(pyridin-3-ol);tetraacetate?

Dicopper;tetrakis(pyridin-3-ol);tetraacetate has a molecular weight of 743.67 g/mol, XLogP of -1.83, 0 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for Dicopper;tetrakis(pyridin-3-ol);tetraacetate is sourced from PubChem (CID 139067074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 139067074 — identifiers, structure, computed properties (public domain)

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