cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate

C20H24CoIN5O7 — CID 139070602

IUPACcobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate
SMILESO.O.O.O.O=[N+]([O-])[O-].[Co+2].[I-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Co.HI.NO3.4H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;2-1(3)4;;;;/h2*1-8H;;1H;;4*1H2/q;;+2;;-1;;;;/p-1
InChIKeyJXZAMGZZZVVQEU-UHFFFAOYSA-M
MW632.28 g/mol
LogP-2.25
Rot. Bonds2

About cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate

cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate (PubChem CID 139070602) has the molecular formula C20H24CoIN5O7 and a molecular weight of 632.28 g/mol. Its IUPAC name is cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate.

Molecular Properties

Compound Namecobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate
PubChem CID139070602
Molecular FormulaC20H24CoIN5O7
Molecular Weight632.28 g/mol
Exact Mass632.01
IUPAC Namecobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate
SMILESO.O.O.O.O=[N+]([O-])[O-].[Co+2].[I-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.Co.HI.NO3.4H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;2-1(3)4;;;;/h2*1-8H;;1H;;4*1H2/q;;+2;;-1;;;;/p-1
InChIKeyJXZAMGZZZVVQEU-UHFFFAOYSA-M
XLogP-2.25
TPSA243.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500632.28
LogP ≤ 5-2.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
Bis(2,2'-bipyridine-kappa^2^N,N')copper(I) trifluoromethanesulfonate
CID 139069240

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate?
The IUPAC name of cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate (CID 139070602) is cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate.
What is the SMILES notation for cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate?
The canonical SMILES for cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate is O.O.O.O.O=[N+]([O-])[O-].[Co+2].[I-].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate?
The InChIKey is JXZAMGZZZVVQEU-UHFFFAOYSA-M. The full InChI is InChI=1S/2C10H8N2.Co.HI.NO3.4H2O/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;2-1(3)4;;;;/h2*1-8H;;1H;;4*1H2/q;;+2;;-1;;;;/p-1.
What are the key properties of cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate?
cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate has a molecular weight of 632.28 g/mol, XLogP of -2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2-pyridin-2-ylpyridine);iodide;nitrate;tetrahydrate is sourced from PubChem (CID 139070602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).