ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)

C19H17N3O6V — CID 139080605

IUPACethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
SMILESCCO.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V+4].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C7H5NO4.C2H6O.O.V/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-6(10)4-2-1-3-5(8-4)7(11)12;1-2-3;;/h1-8H;1-3H,(H,9,10)(H,11,12);3H,2H2,1H3;;/q;;;-2;+4/p-2
InChIKeyWFZPVLQKZXXDOK-UHFFFAOYSA-L
MW434.30 g/mol
LogP-0.17
Rot. Bonds3

About ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)

ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+) (PubChem CID 139080605) has the molecular formula C19H17N3O6V and a molecular weight of 434.30 g/mol. Its IUPAC name is ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+).

Molecular Properties

Compound Nameethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
PubChem CID139080605
Molecular FormulaC19H17N3O6V
Molecular Weight434.30 g/mol
Exact Mass434.06
IUPAC Nameethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
SMILESCCO.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V+4].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C7H5NO4.C2H6O.O.V/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-6(10)4-2-1-3-5(8-4)7(11)12;1-2-3;;/h1-8H;1-3H,(H,9,10)(H,11,12);3H,2H2,1H3;;/q;;;-2;+4/p-2
InChIKeyWFZPVLQKZXXDOK-UHFFFAOYSA-L
XLogP-0.17
TPSA167.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
CID 161281682
bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
calcium pyridine-2,6-dicarboxylate
CID 11708274
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
europium(3+);pyridine-2-carboxylate
CID 172810679
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
propane;2-pyridin-2-ylpyridine
CID 158168510
dimethylazanium;pyridine-2-carboxylate
CID 67178639
copper;2-oxidobenzoate;2-pyridin-2-ylpyridine
CID 24944135
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate
CID 71528602

Frequently Asked Questions

What is the IUPAC name of ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)?
The IUPAC name of ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+) (CID 139080605) is ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+).
What is the SMILES notation for ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)?
The canonical SMILES for ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+) is CCO.O=C([O-])c1cccc(C(=O)[O-])n1.[O-2].[V+4].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)?
The InChIKey is WFZPVLQKZXXDOK-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N2.C7H5NO4.C2H6O.O.V/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;9-6(10)4-2-1-3-5(8-4)7(11)12;1-2-3;;/h1-8H;1-3H,(H,9,10)(H,11,12);3H,2H2,1H3;;/q;;;-2;+4/p-2.
What are the key properties of ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)?
ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+) has a molecular weight of 434.30 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+) is sourced from PubChem (CID 139080605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).