dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)

C28H24Cu2N4O10 — CID 139159118

IUPACdicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])COCC(=O)[O-].O=C([O-])COCC(=O)[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C4H6O5.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*5-3(6)1-9-2-4(7)8;;/h2*1-8H;2*1-2H2,(H,5,6)(H,7,8);;/q;;;;2*+2/p-4
InChIKeyQLHFGABGHQACEM-UHFFFAOYSA-J
MW703.61 g/mol
LogP-2.71
Rot. Bonds10

About dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)

dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine) (PubChem CID 139159118) has the molecular formula C28H24Cu2N4O10 and a molecular weight of 703.61 g/mol. Its IUPAC name is dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namedicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)
PubChem CID139159118
Molecular FormulaC28H24Cu2N4O10
Molecular Weight703.61 g/mol
Exact Mass702.01
IUPAC Namedicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)
SMILESO=C([O-])COCC(=O)[O-].O=C([O-])COCC(=O)[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C4H6O5.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*5-3(6)1-9-2-4(7)8;;/h2*1-8H;2*1-2H2,(H,5,6)(H,7,8);;/q;;;;2*+2/p-4
InChIKeyQLHFGABGHQACEM-UHFFFAOYSA-J
XLogP-2.71
TPSA230.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.61
LogP ≤ 5-2.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)?
The IUPAC name of dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine) (CID 139159118) is dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine) is O=C([O-])COCC(=O)[O-].O=C([O-])COCC(=O)[O-].[Cu+2].[Cu+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)?
The InChIKey is QLHFGABGHQACEM-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.2C4H6O5.2Cu/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*5-3(6)1-9-2-4(7)8;;/h2*1-8H;2*1-2H2,(H,5,6)(H,7,8);;/q;;;;2*+2/p-4.
What are the key properties of dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine)?
dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine) has a molecular weight of 703.61 g/mol, XLogP of -2.71, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(2-(carboxylatomethoxy)acetate);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139159118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).