copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate

C21H14Cl2CuN4O9 — CID 139162094

IUPACcopper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate
SMILESO=C(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H14N4O.2ClHO4.Cu/c26-21(19-11-5-9-17(24-19)15-7-1-3-13-22-15)20-12-6-10-18(25-20)16-8-2-4-14-23-16;2*2-1(3,4)5;/h1-14H;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeySOMRFMQMSPIPCX-UHFFFAOYSA-L
MW600.81 g/mol
LogP-5.68
Rot. Bonds4

About copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate

copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate (PubChem CID 139162094) has the molecular formula C21H14Cl2CuN4O9 and a molecular weight of 600.81 g/mol. Its IUPAC name is copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate.

Molecular Properties

Compound Namecopper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate
PubChem CID139162094
Molecular FormulaC21H14Cl2CuN4O9
Molecular Weight600.81 g/mol
Exact Mass598.94
IUPAC Namecopper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate
SMILESO=C(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H14N4O.2ClHO4.Cu/c26-21(19-11-5-9-17(24-19)15-7-1-3-13-22-15)20-12-6-10-18(25-20)16-8-2-4-14-23-16;2*2-1(3,4)5;/h1-14H;2*(H,2,3,4,5);/q;;;+2/p-2
InChIKeySOMRFMQMSPIPCX-UHFFFAOYSA-L
XLogP-5.68
TPSA253.11 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.81
LogP ≤ 5-5.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

Bis[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone
CID 118706530
[6-[6-(Triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone
CID 118707123
1,2-Bis(6-pyridin-2-yl-2-pyridinyl)ethane-1,2-dione
CID 11760311
Bis(6-pyridin-2-yl-2-pyridinyl)methanone
CID 91378140
Acetonitrile;dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);diperchlorate
CID 139129649
Dipyridin-2-ylmethanone;2,6-dipyridin-2-ylpyridine;ruthenium(2+);nitrite;perchlorate
CID 139129650
CID 139129651
CID 139129651
Iron(2+);bis([6-(pyridine-2-carbonyl)-2-pyridinyl]-pyridin-2-ylmethanone);dihexafluorophosphate
CID 139140748
Bis(6-pyridin-2-yl-2-pyridinyl)methanone;manganese(2+);diperchlorate
CID 139162089
Bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate
CID 139162097
Palladium(2+);bis(pyridin-2-yl(pyrrol-1-id-2-yl)methanone)
CID 139205858
Platinum(2+);bis(pyridin-2-yl(pyrrol-1-id-2-yl)methanone)
CID 139205859

Frequently Asked Questions

What is the IUPAC name of copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate?
The IUPAC name of copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate (CID 139162094) is copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate.
What is the SMILES notation for copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate?
The canonical SMILES for copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate is O=C(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate?
The InChIKey is SOMRFMQMSPIPCX-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H14N4O.2ClHO4.Cu/c26-21(19-11-5-9-17(24-19)15-7-1-3-13-22-15)20-12-6-10-18(25-20)16-8-2-4-14-23-16;2*2-1(3,4)5;/h1-14H;2*(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate?
copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate has a molecular weight of 600.81 g/mol, XLogP of -5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate is sourced from PubChem (CID 139162094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).