cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate

C36H47CoN6O13S — CID 139197567

IUPACcobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
SMILESCCO.CCO.CCO.O.O.O.O.O=S(=O)([O-])[O-].Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Co+3].[O-]c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/2C15H11N3O.3C2H6O.Co.H2O4S.4H2O/c2*19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;3*1-2-3;;1-5(2,3)4;;;;/h2*1-10H,(H,18,19);3*3H,2H2,1H3;;(H2,1,2,3,4);4*1H2/q;;;;;+3;;;;;/p-3
InChIKeyDXYFJJJCIUHNOX-UHFFFAOYSA-K
MW862.80 g/mol
LogP0.55
Rot. Bonds4

About cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate

cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate (PubChem CID 139197567) has the molecular formula C36H47CoN6O13S and a molecular weight of 862.80 g/mol. Its IUPAC name is cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate.

Molecular Properties

Compound Namecobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
PubChem CID139197567
Molecular FormulaC36H47CoN6O13S
Molecular Weight862.80 g/mol
Exact Mass862.23
IUPAC Namecobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate
SMILESCCO.CCO.CCO.O.O.O.O.O=S(=O)([O-])[O-].Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Co+3].[O-]c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/2C15H11N3O.3C2H6O.Co.H2O4S.4H2O/c2*19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;3*1-2-3;;1-5(2,3)4;;;;/h2*1-10H,(H,18,19);3*3H,2H2,1H3;;(H2,1,2,3,4);4*1H2/q;;;;;+3;;;;;/p-3
InChIKeyDXYFJJJCIUHNOX-UHFFFAOYSA-K
XLogP0.55
TPSA387.58 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.80
LogP ≤ 50.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate with MolForge

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Related Compounds

Hexasilver;hexakis(6-pyridin-2-ylpyridin-2-olate);octadecahydrate
CID 139129372
Cyanoiminomethylideneazanide;bis(2,6-dipyridin-2-ylpyridin-4-ol);nickel(2+);dihydrate
CID 139145755
Methanol;neodymium(3+);tris(6-pyridin-2-yl-1,5-naphthyridin-4-olate)
CID 139160384
Cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);propan-2-one;ditetrafluoroborate
CID 139165584
Cobalt(2+);bis(2,6-dipyridin-2-yl-4-tetradecoxypyridine);methanol;ditetrafluoroborate
CID 139180702
Bis(acetonitrile);cobalt(2+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139184776
Bis(2,6-dipyridin-2-ylpyridine);nickel(2+);tetrakis(propan-1-ol);sulfate
CID 139197565
Cobalt(2+);bis(4-methoxy-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139197646
Acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);tribromide;hydrate
CID 139197647
Acetonitrile;cobalt(3+);bis(4-ethoxy-2,6-dipyridin-2-ylpyridine);trihexafluorophosphate
CID 139197651
Aqua[2,6-bis(pyridin-2-yl)pyridin-4-ol]sulfatocopper(II) dihydrate
CID 168309134
Oxidanium;dysprosium(3+);ethanol;2-[[[6-[[(2-oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;perchlorate
CID 168342026

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate?
The IUPAC name of cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate (CID 139197567) is cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate.
What is the SMILES notation for cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate?
The canonical SMILES for cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate is CCO.CCO.CCO.O.O.O.O.O=S(=O)([O-])[O-].Oc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Co+3].[O-]c1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate?
The InChIKey is DXYFJJJCIUHNOX-UHFFFAOYSA-K. The full InChI is InChI=1S/2C15H11N3O.3C2H6O.Co.H2O4S.4H2O/c2*19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13;3*1-2-3;;1-5(2,3)4;;;;/h2*1-10H,(H,18,19);3*3H,2H2,1H3;;(H2,1,2,3,4);4*1H2/q;;;;;+3;;;;;/p-3.
What are the key properties of cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate?
cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate has a molecular weight of 862.80 g/mol, XLogP of 0.55, 4 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);2,6-dipyridin-2-ylpyridin-4-ol;2,6-dipyridin-2-ylpyridin-4-olate;ethanol;sulfate;tetrahydrate is sourced from PubChem (CID 139197567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).