cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate

C22H22ClCoN4O10 — CID 139173523

IUPACcobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate
SMILESO.O.[Co+3].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C11H9N2O2.ClHO4.Co.2H2O/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2-1(3,4)5;;;/h2*1-8,14H;(H,2,3,4,5);;2*1H2/q2*-1;;+3;;/p-1
InChIKeyCTCUDIMRSUKJNK-UHFFFAOYSA-M
MW596.82 g/mol
LogP-6.35
Rot. Bonds4

About cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate

cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate (PubChem CID 139173523) has the molecular formula C22H22ClCoN4O10 and a molecular weight of 596.82 g/mol. Its IUPAC name is cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate.

Molecular Properties

Compound Namecobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate
PubChem CID139173523
Molecular FormulaC22H22ClCoN4O10
Molecular Weight596.82 g/mol
Exact Mass596.04
IUPAC Namecobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate
SMILESO.O.[Co+3].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C11H9N2O2.ClHO4.Co.2H2O/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2-1(3,4)5;;;/h2*1-8,14H;(H,2,3,4,5);;2*1H2/q2*-1;;+3;;/p-1
InChIKeyCTCUDIMRSUKJNK-UHFFFAOYSA-M
XLogP-6.35
TPSA293.38 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.82
LogP ≤ 5-6.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Bis(dipyridin-2-ylmethanediol);platinum(2+);dichloride;tetrahydrate
CID 139053883
Bis(2,2'-dipyridylmethanediol-N,N')palladium(II) Chloride Tetrahydrate
CID 139055522
Bis(di-2-pyridyl-1-hydroxymethoxy)cobalt(III) Perchlorate Trihydrate
CID 139055892
Bis(di-2-pyridylmethandiol)copper(II) diperchlorate
CID 139056061
bis(di-2-pyridylmethanediol-N,N')iron(III) nitrate dihydrate
CID 139065552
Bis(mu~2~-hydroxydi-2-pyridylmethanolato-kappa^4^N,O:O,N')bis[(pyridine-kappaN)copper(II)] bis(perchlorate)
CID 139071977
Bis(di-2-pyridylmethanediol-kappa^2^N,N')palladium(II) bis(perchlorate)
CID 139073238
Bis(di-2-pyridylmethanediol-kappa^3^N,O,N')nickel(II) dinitrate
CID 139076627
Bis(di-2-pyridylmethanediol-kappa^3^N,O,N')nickel(II) dibenzoate
CID 139079602
(5) Ti(Opy)2(Obut)2
CID 139128835
Octacopper;tetrakis(dipyridin-2-ylmethanediolate);tetrakis(pyridin-2-ol);tetraacetate;tetraperchlorate;tetrahydrate
CID 139134227
2-(3-Hydroxy-2-pyridinyl)pyridin-3-olate;osmium(2+);bis(2-pyridin-2-ylpyridine);perchlorate
CID 139142293

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate?
The IUPAC name of cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate (CID 139173523) is cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate.
What is the SMILES notation for cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate?
The canonical SMILES for cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate is O.O.[Co+3].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate?
The InChIKey is CTCUDIMRSUKJNK-UHFFFAOYSA-M. The full InChI is InChI=1S/2C11H9N2O2.ClHO4.Co.2H2O/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2-1(3,4)5;;;/h2*1-8,14H;(H,2,3,4,5);;2*1H2/q2*-1;;+3;;/p-1.
What are the key properties of cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate?
cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate has a molecular weight of 596.82 g/mol, XLogP of -6.35, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(hydroxy(dipyridin-2-yl)methanolate);perchlorate;dihydrate is sourced from PubChem (CID 139173523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).