copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate

C18H26CuN4O10 — CID 139078235

IUPACcopper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate
SMILESC[NH2+]C.C[NH2+]C.O.O.O=C([O-])c1ccnc(C(=O)[O-])c1.O=C([O-])c1ccnc(C(=O)[O-])c1.[Cu+2]
InChIInChI=1S/2C7H5NO4.2C2H7N.Cu.2H2O/c2*9-6(10)4-1-2-8-5(3-4)7(11)12;2*1-3-2;;;/h2*1-3H,(H,9,10)(H,11,12);2*3H,1-2H3;;2*1H2/q;;;;+2;;/p-2
InChIKeyOCDUVGWSPWONSL-UHFFFAOYSA-L
MW521.97 g/mol
LogP-8.42
Rot. Bonds4

About copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate

copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate (PubChem CID 139078235) has the molecular formula C18H26CuN4O10 and a molecular weight of 521.97 g/mol. Its IUPAC name is copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate.

Molecular Properties

Compound Namecopper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate
PubChem CID139078235
Molecular FormulaC18H26CuN4O10
Molecular Weight521.97 g/mol
Exact Mass521.09
IUPAC Namecopper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate
SMILESC[NH2+]C.C[NH2+]C.O.O.O=C([O-])c1ccnc(C(=O)[O-])c1.O=C([O-])c1ccnc(C(=O)[O-])c1.[Cu+2]
InChIInChI=1S/2C7H5NO4.2C2H7N.Cu.2H2O/c2*9-6(10)4-1-2-8-5(3-4)7(11)12;2*1-3-2;;;/h2*1-3H,(H,9,10)(H,11,12);2*3H,1-2H3;;2*1H2/q;;;;+2;;/p-2
InChIKeyOCDUVGWSPWONSL-UHFFFAOYSA-L
XLogP-8.42
TPSA282.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.97
LogP ≤ 5-8.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate?
The IUPAC name of copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate (CID 139078235) is copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate.
What is the SMILES notation for copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate?
The canonical SMILES for copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate is C[NH2+]C.C[NH2+]C.O.O.O=C([O-])c1ccnc(C(=O)[O-])c1.O=C([O-])c1ccnc(C(=O)[O-])c1.[Cu+2].
What is the InChIKey of copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate?
The InChIKey is OCDUVGWSPWONSL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5NO4.2C2H7N.Cu.2H2O/c2*9-6(10)4-1-2-8-5(3-4)7(11)12;2*1-3-2;;;/h2*1-3H,(H,9,10)(H,11,12);2*3H,1-2H3;;2*1H2/q;;;;+2;;/p-2.
What are the key properties of copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate?
copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate has a molecular weight of 521.97 g/mol, XLogP of -8.42, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(dimethylazanium);bis(pyridine-2,4-dicarboxylate);dihydrate is sourced from PubChem (CID 139078235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).