dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate

C14H4N2O8Zn2 — CID 172703364

IUPACdizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cc(-c2cc(C(=O)[O-])nc(C(=O)[O-])c2)cc(C(=O)[O-])n1.[Zn+2].[Zn+2]
InChIInChI=1S/C14H8N2O8.2Zn/c17-11(18)7-1-5(2-8(15-7)12(19)20)6-3-9(13(21)22)16-10(4-6)14(23)24;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+2/p-4
InChIKeyDGIRXXHYMBMOFJ-UHFFFAOYSA-J
MW458.97 g/mol
LogP-4.41
Rot. Bonds5

About dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate

dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate (PubChem CID 172703364) has the molecular formula C14H4N2O8Zn2 and a molecular weight of 458.97 g/mol. Its IUPAC name is dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namedizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate
PubChem CID172703364
Molecular FormulaC14H4N2O8Zn2
Molecular Weight458.97 g/mol
Exact Mass455.86
IUPAC Namedizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate
SMILESO=C([O-])c1cc(-c2cc(C(=O)[O-])nc(C(=O)[O-])c2)cc(C(=O)[O-])n1.[Zn+2].[Zn+2]
InChIInChI=1S/C14H8N2O8.2Zn/c17-11(18)7-1-5(2-8(15-7)12(19)20)6-3-9(13(21)22)16-10(4-6)14(23)24;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+2/p-4
InChIKeyDGIRXXHYMBMOFJ-UHFFFAOYSA-J
XLogP-4.41
TPSA186.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 5-4.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dicarbonochloridoyl-4-pyridinyl)pyridine-2,6-dicarbonyl chloride
CID 14363359
4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
CID 161281682
calcium pyridine-2,6-dicarboxylate
CID 11708274
bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
tris(4-propan-2-yloxypyridine-2,6-dicarboxylate);bis(terbium(3+))
CID 173019668
4-[2-[2-[2-[2-[(2,6-dicarboxylato-4-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]pyridine-2,6-dicarboxylate
CID 132601045
4-[7-(2,6-dicarboxy-4-pyridinyl)naphthalen-2-yl]pyridine-2,6-dicarboxylic acid
CID 102140939
bis(chromium(3+));bis(N,N-dimethylpyridin-1-ium-4-amine);tetrakis(4-hydroxypyridine-2,6-dicarboxylate);octahydrate
CID 139200729
4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
cobalt(3+);tris(ethane-1,2-diamine);lanthanum(3+);tris(pyridine-2,6-dicarboxylate);tetrahydrate
CID 139203405
5,6-dichloropyridine-2-carboxylate
CID 86306959

Frequently Asked Questions

What is the IUPAC name of dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate?
The IUPAC name of dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate (CID 172703364) is dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate.
What is the SMILES notation for dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate?
The canonical SMILES for dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate is O=C([O-])c1cc(-c2cc(C(=O)[O-])nc(C(=O)[O-])c2)cc(C(=O)[O-])n1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate?
The InChIKey is DGIRXXHYMBMOFJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C14H8N2O8.2Zn/c17-11(18)7-1-5(2-8(15-7)12(19)20)6-3-9(13(21)22)16-10(4-6)14(23)24;;/h1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;/q;2*+2/p-4.
What are the key properties of dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate?
dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate has a molecular weight of 458.97 g/mol, XLogP of -4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;4-(2,6-dicarboxylato-4-pyridinyl)pyridine-2,6-dicarboxylate is sourced from PubChem (CID 172703364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).