copper;bis(dipyridin-2-ylmethanediol);diperchlorate

C22H20Cl2CuN4O12 — CID 139056061

IUPACcopper;bis(dipyridin-2-ylmethanediol);diperchlorate
SMILESOC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C11H10N2O2.2ClHO4.Cu/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*2-1(3,4)5;/h2*1-8,14-15H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyNQFJARSZQAHQMK-UHFFFAOYSA-L
MW666.87 g/mol
LogP-8.19
Rot. Bonds4

About copper;bis(dipyridin-2-ylmethanediol);diperchlorate

copper;bis(dipyridin-2-ylmethanediol);diperchlorate (PubChem CID 139056061) has the molecular formula C22H20Cl2CuN4O12 and a molecular weight of 666.87 g/mol. Its IUPAC name is copper;bis(dipyridin-2-ylmethanediol);diperchlorate.

Molecular Properties

Compound Namecopper;bis(dipyridin-2-ylmethanediol);diperchlorate
PubChem CID139056061
Molecular FormulaC22H20Cl2CuN4O12
Molecular Weight666.87 g/mol
Exact Mass664.98
IUPAC Namecopper;bis(dipyridin-2-ylmethanediol);diperchlorate
SMILESOC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C11H10N2O2.2ClHO4.Cu/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*2-1(3,4)5;/h2*1-8,14-15H;2*(H,2,3,4,5);/q;;;;+2/p-2
InChIKeyNQFJARSZQAHQMK-UHFFFAOYSA-L
XLogP-8.19
TPSA316.96 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 5-8.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

Pyrinoline
CID 3052765
2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine
CID 90820104
Tris(6-pyridin-2-yl-2-pyridinyl)methanol
CID 90818925
2,6-Bis(dipyridin-2-ylmethoxymethyl)pyridine
CID 91376410
1,4-Bis[di(pyrid-2-yl)hydroxymethyl]benzene
CID 101341877
Pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol
CID 102494319
Bis[bis(2 pyridyl)hydroxymethyl]pyridine
CID 129773315
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[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

Frequently Asked Questions

What is the IUPAC name of copper;bis(dipyridin-2-ylmethanediol);diperchlorate?
The IUPAC name of copper;bis(dipyridin-2-ylmethanediol);diperchlorate (CID 139056061) is copper;bis(dipyridin-2-ylmethanediol);diperchlorate.
What is the SMILES notation for copper;bis(dipyridin-2-ylmethanediol);diperchlorate?
The canonical SMILES for copper;bis(dipyridin-2-ylmethanediol);diperchlorate is OC(O)(c1ccccn1)c1ccccn1.OC(O)(c1ccccn1)c1ccccn1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;bis(dipyridin-2-ylmethanediol);diperchlorate?
The InChIKey is NQFJARSZQAHQMK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H10N2O2.2ClHO4.Cu/c2*14-11(15,9-5-1-3-7-12-9)10-6-2-4-8-13-10;2*2-1(3,4)5;/h2*1-8,14-15H;2*(H,2,3,4,5);/q;;;;+2/p-2.
What are the key properties of copper;bis(dipyridin-2-ylmethanediol);diperchlorate?
copper;bis(dipyridin-2-ylmethanediol);diperchlorate has a molecular weight of 666.87 g/mol, XLogP of -8.19, 4 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(dipyridin-2-ylmethanediol);diperchlorate is sourced from PubChem (CID 139056061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).