dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate

C32H28Cl2Cu2N6O12 — CID 139071977

IUPACdicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate
SMILES[Cu+2].[Cu+2].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/2C11H9N2O2.2C5H5N.2ClHO4.2Cu/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2-4-6-5-3-1;2*2-1(3,4)5;;/h2*1-8,14H;2*1-5H;2*(H,2,3,4,5);;/q2*-1;;;;;2*+2/p-2
InChIKeyURFVSDHFUOHWDK-UHFFFAOYSA-L
MW886.60 g/mol
LogP-7.29
Rot. Bonds4

About dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate

dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate (PubChem CID 139071977) has the molecular formula C32H28Cl2Cu2N6O12 and a molecular weight of 886.60 g/mol. Its IUPAC name is dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate.

Molecular Properties

Compound Namedicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate
PubChem CID139071977
Molecular FormulaC32H28Cl2Cu2N6O12
Molecular Weight886.60 g/mol
Exact Mass883.97
IUPAC Namedicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate
SMILES[Cu+2].[Cu+2].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1.c1ccncc1
InChIInChI=1S/2C11H9N2O2.2C5H5N.2ClHO4.2Cu/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2-4-6-5-3-1;2*2-1(3,4)5;;/h2*1-8,14H;2*1-5H;2*(H,2,3,4,5);;/q2*-1;;;;;2*+2/p-2
InChIKeyURFVSDHFUOHWDK-UHFFFAOYSA-L
XLogP-7.29
TPSA348.40 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.60
LogP ≤ 5-7.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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[tris(pyridin-2-yl)methanol-kappa^2^N]palladium(II) dinitrate
CID 139059298
bis[hydroxybis(pyridin-2-yl)methanesulfonato-kappa^3^N,O,N']copper(II) hexahydrate
CID 139061441
bis[hydroxybis(pyridin-2-yl)methanesulfonato-kappa^3^N,O,N']cobalt(II)
CID 139061442
bis(di-2-pyridylmethanediol-N,N')iron(III) nitrate dihydrate
CID 139065552
bis(di-2-pyridylmethanediol-kappa^3^N,O,N')copper(II) diacetate tetrahydrate
CID 139065937
Bis(di-2-pyridylmethanediol-kappa^3^N,N',O)manganese(II) bis(acetate) tetrahydrate
CID 139070537
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

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate?
The IUPAC name of dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate (CID 139071977) is dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate.
What is the SMILES notation for dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate?
The canonical SMILES for dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate is [Cu+2].[Cu+2].[O-]C(O)(c1ccccn1)c1ccccn1.[O-]C(O)(c1ccccn1)c1ccccn1.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate?
The InChIKey is URFVSDHFUOHWDK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H9N2O2.2C5H5N.2ClHO4.2Cu/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*1-2-4-6-5-3-1;2*2-1(3,4)5;;/h2*1-8,14H;2*1-5H;2*(H,2,3,4,5);;/q2*-1;;;;;2*+2/p-2.
What are the key properties of dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate?
dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate has a molecular weight of 886.60 g/mol, XLogP of -7.29, 4 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(hydroxy(dipyridin-2-yl)methanolate);bis(pyridine);diperchlorate is sourced from PubChem (CID 139071977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).