dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)

C16H8Cu2N6O8 — CID 163323475

IUPACdicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)
SMILESO=C([O-])c1nccnc1C(=O)[O-].O=C([O-])c1nccnc1C(=O)[O-].[Cu+2].[Cu+2].c1cnccn1
InChIInChI=1S/2C6H4N2O4.C4H4N2.2Cu/c2*9-5(10)3-4(6(11)12)8-2-1-7-3;1-2-6-4-3-5-1;;/h2*1-2H,(H,9,10)(H,11,12);1-4H;;/q;;;2*+2/p-4
InChIKeyYSMCPLLVGSHYCI-UHFFFAOYSA-J
MW539.37 g/mol
LogP-5.12
Rot. Bonds4

About dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)

dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate) (PubChem CID 163323475) has the molecular formula C16H8Cu2N6O8 and a molecular weight of 539.37 g/mol. Its IUPAC name is dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate).

Molecular Properties

Compound Namedicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)
PubChem CID163323475
Molecular FormulaC16H8Cu2N6O8
Molecular Weight539.37 g/mol
Exact Mass537.90
IUPAC Namedicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)
SMILESO=C([O-])c1nccnc1C(=O)[O-].O=C([O-])c1nccnc1C(=O)[O-].[Cu+2].[Cu+2].c1cnccn1
InChIInChI=1S/2C6H4N2O4.C4H4N2.2Cu/c2*9-5(10)3-4(6(11)12)8-2-1-7-3;1-2-6-4-3-5-1;;/h2*1-2H,(H,9,10)(H,11,12);1-4H;;/q;;;2*+2/p-4
InChIKeyYSMCPLLVGSHYCI-UHFFFAOYSA-J
XLogP-5.12
TPSA237.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.37
LogP ≤ 5-5.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

3-aminopyrazine-2-carboxylate
CID 6973597
3-(dimethylcarbamoyl)pyrazine-2-carboxylate
CID 121238753
diazanium bis(3-aminopyrazine-2-carboxylate)
CID 139080956
3-phenylpyrazine-2-carboxylate
CID 35549380
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
bis(ethane-1,2-diamine);bis(palladium(2+));bis(pyridine-2,3-dicarboxylate);tetrahydrate
CID 139158745
pyrimidine-4,5-dicarboxylate
CID 19795578
amino(diaminomethylidene)azanium;pyrazine-2-carboxylate
CID 155803285
lithium;pyridine-4-carboxylate;dihydrate
CID 172830071
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
sodium 3-methoxypyridine-2-carboxylate
CID 66803094

Frequently Asked Questions

What is the IUPAC name of dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)?
The IUPAC name of dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate) (CID 163323475) is dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate).
What is the SMILES notation for dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)?
The canonical SMILES for dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate) is O=C([O-])c1nccnc1C(=O)[O-].O=C([O-])c1nccnc1C(=O)[O-].[Cu+2].[Cu+2].c1cnccn1.
What is the InChIKey of dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)?
The InChIKey is YSMCPLLVGSHYCI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H4N2O4.C4H4N2.2Cu/c2*9-5(10)3-4(6(11)12)8-2-1-7-3;1-2-6-4-3-5-1;;/h2*1-2H,(H,9,10)(H,11,12);1-4H;;/q;;;2*+2/p-4.
What are the key properties of dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate)?
dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate) has a molecular weight of 539.37 g/mol, XLogP of -5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;pyrazine;bis(pyrazine-2,3-dicarboxylate) is sourced from PubChem (CID 163323475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).