tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))

C21H9N3O12Ru2 — CID 161281682

IUPACtris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Ru+3].[Ru+3]
InChIInChI=1S/3C7H5NO4.2Ru/c3*9-6(10)4-2-1-3-5(8-4)7(11)12;;/h3*1-3H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6
InChIKeyVFEDNNQIBTVBDE-UHFFFAOYSA-H
MW697.45 g/mol
LogP-6.58
Rot. Bonds6

About tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))

tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+)) (PubChem CID 161281682) has the molecular formula C21H9N3O12Ru2 and a molecular weight of 697.45 g/mol. Its IUPAC name is tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+)).

Molecular Properties

Compound Nametris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
PubChem CID161281682
Molecular FormulaC21H9N3O12Ru2
Molecular Weight697.45 g/mol
Exact Mass698.83
IUPAC Nametris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Ru+3].[Ru+3]
InChIInChI=1S/3C7H5NO4.2Ru/c3*9-6(10)4-2-1-3-5(8-4)7(11)12;;/h3*1-3H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6
InChIKeyVFEDNNQIBTVBDE-UHFFFAOYSA-H
XLogP-6.58
TPSA279.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.45
LogP ≤ 5-6.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Related Compounds

bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
calcium pyridine-2,6-dicarboxylate
CID 11708274
cobalt(3+);tris(ethane-1,2-diamine);lanthanum(3+);tris(pyridine-2,6-dicarboxylate);tetrahydrate
CID 139203405
dicopper;bis([6-(hydroxymethyl)-2-pyridinyl]methanol);bis(pyridine-2,6-dicarboxylate);hydrate
CID 139144002
tricopper;2-azaniumylethylazanium;bis(ethane-1,2-diamine);tetrakis(pyridine-2,6-dicarboxylate);tetrahydrate
CID 139083892
6-(1-hydroxyethyl)pyridine-2-carboxylate
CID 140749333
trisodium;6-[[bis[(6-carboxylato-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
CID 102087870
lithium 6-(sulfomethyl)pyridine-2-carboxylate
CID 102529660
bis(1H-imidazole);oxygen(2-);pyridine-2,6-dicarboxylate;vanadium(4+)
CID 139171875
tris(quinoline-2-carboxylate);ruthenium(3+)
CID 15777317
6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate
CID 140749336
ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
CID 139080605

Frequently Asked Questions

What is the IUPAC name of tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))?
The IUPAC name of tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+)) (CID 161281682) is tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+)).
What is the SMILES notation for tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))?
The canonical SMILES for tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+)) is O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[Ru+3].[Ru+3].
What is the InChIKey of tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))?
The InChIKey is VFEDNNQIBTVBDE-UHFFFAOYSA-H. The full InChI is InChI=1S/3C7H5NO4.2Ru/c3*9-6(10)4-2-1-3-5(8-4)7(11)12;;/h3*1-3H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6.
What are the key properties of tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))?
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+)) has a molecular weight of 697.45 g/mol, XLogP of -6.58, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+)) is sourced from PubChem (CID 161281682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).