oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)

C44H36N8O9V2-6 — CID 139115089

IUPACoxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V].[V].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H5NO4.6C5H5N.O.2V/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;6*1-2-4-6-5-3-1;;;/h2*1-3H,(H,9,10)(H,11,12);6*1-5H;;;/q;;;;;;;;-2;;/p-4
InChIKeyFMXHKBWSHIHGFF-UHFFFAOYSA-J
MW922.71 g/mol
LogP1.98
Rot. Bonds4

About oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)

oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) (PubChem CID 139115089) has the molecular formula C44H36N8O9V2-6 and a molecular weight of 922.71 g/mol. Its IUPAC name is oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium).

Molecular Properties

Compound Nameoxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)
PubChem CID139115089
Molecular FormulaC44H36N8O9V2-6
Molecular Weight922.71 g/mol
Exact Mass922.15
IUPAC Nameoxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)
SMILESO=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V].[V].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H5NO4.6C5H5N.O.2V/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;6*1-2-4-6-5-3-1;;;/h2*1-3H,(H,9,10)(H,11,12);6*1-5H;;;/q;;;;;;;;-2;;/p-4
InChIKeyFMXHKBWSHIHGFF-UHFFFAOYSA-J
XLogP1.98
TPSA292.14 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.71
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Related Compounds

Chromium tripicolinate
CID 56840998
methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
Bis(acetonitrile);bis(iron(4+));bis(6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridine-2-carboxylate);bis(trifluoromethanesulfonate);dihydroxide
CID 168348257
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(iridium);2-phenylpyridine;bis(pyridine-2-carboxylic acid)
CID 159992137
Bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(iridium);iridium(3+);2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tris(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 161077646
Ru(II)(bda)(isoq)2
CID 56835789
Ru(II)(bda)(pic)2
CID 56835790
Ru2-bda-N2
CID 138455538
[Ru(III)(bda)(pic)2][PF6]
CID 138455539
Ru(II)(bda)(pic)2NH3
CID 138455540
[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate
CID 139056803
Bis(manganese(3+));bis(6-oxidopyridine-2-carboxylate);oxygen(2-);tetrakis(pyridine);hydrate
CID 139059265

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?
The IUPAC name of oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) (CID 139115089) is oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium).
What is the SMILES notation for oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?
The canonical SMILES for oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) is O=C([O-])c1cccc(C(=O)[O-])n1.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V].[V].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?
The InChIKey is FMXHKBWSHIHGFF-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H5NO4.6C5H5N.O.2V/c2*9-6(10)4-2-1-3-5(8-4)7(11)12;6*1-2-4-6-5-3-1;;;/h2*1-3H,(H,9,10)(H,11,12);6*1-5H;;;/q;;;;;;;;-2;;/p-4.
What are the key properties of oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium)?
oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) has a molecular weight of 922.71 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);hexakis(pyridine);bis(pyridine-2,6-dicarboxylate);bis(vanadium) is sourced from PubChem (CID 139115089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).