cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate

C20H25CoN6O11 — CID 139073655

IUPACcobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate
SMILESO.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+3].[OH-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Co.2NO3.5H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4;;;;;/h2*1-8H;;;;5*1H2/q;;+3;2*-1;;;;;/p-1
InChIKeyBUGTXGFYDYFYFV-UHFFFAOYSA-M
MW584.38 g/mol
LogP0.33
Rot. Bonds2

About cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate

cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate (PubChem CID 139073655) has the molecular formula C20H25CoN6O11 and a molecular weight of 584.38 g/mol. Its IUPAC name is cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate.

Molecular Properties

Compound Namecobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate
PubChem CID139073655
Molecular FormulaC20H25CoN6O11
Molecular Weight584.38 g/mol
Exact Mass584.09
IUPAC Namecobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate
SMILESO.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+3].[OH-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Co.2NO3.5H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4;;;;;/h2*1-8H;;;;5*1H2/q;;+3;2*-1;;;;;/p-1
InChIKeyBUGTXGFYDYFYFV-UHFFFAOYSA-M
XLogP0.33
TPSA339.96 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.38
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tris(2,2'-bipyridyl)cobalt(III)
CID 161059
cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate
CID 2734543
Tris(2,2a(2)-bipyridyl)dichlororuthenium(II) hexahydrate
CID 165340051
Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate
CID 172897992
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
bis(2,2'-bipyridyl)-trifluoroacetato-mercury(II)
CID 139055461

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate?
The IUPAC name of cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate (CID 139073655) is cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate.
What is the SMILES notation for cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate?
The canonical SMILES for cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate is O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Co+3].[OH-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate?
The InChIKey is BUGTXGFYDYFYFV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.Co.2NO3.5H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;2*2-1(3)4;;;;;/h2*1-8H;;;;5*1H2/q;;+3;2*-1;;;;;/p-1.
What are the key properties of cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate?
cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate has a molecular weight of 584.38 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(2-pyridin-2-ylpyridine);hydroxide;dinitrate;tetrahydrate is sourced from PubChem (CID 139073655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).