bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate

C25H20CdCl2N6O9 — CID 139162097

IUPACbis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate
SMILESCC#N.CC#N.O=C(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H14N4O.2C2H3N.Cd.2ClHO4/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*1-2-3;;2*2-1(3,4)5/h1-14H;2*1H3;;2*(H,2,3,4,5)/q;;;+2;;/p-2
InChIKeyQTTGMNPJOHNWDD-UHFFFAOYSA-L
MW731.79 g/mol
LogP-4.62
Rot. Bonds4

About bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate

bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate (PubChem CID 139162097) has the molecular formula C25H20CdCl2N6O9 and a molecular weight of 731.79 g/mol. Its IUPAC name is bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate
PubChem CID139162097
Molecular FormulaC25H20CdCl2N6O9
Molecular Weight731.79 g/mol
Exact Mass731.97
IUPAC Namebis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate
SMILESCC#N.CC#N.O=C(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H14N4O.2C2H3N.Cd.2ClHO4/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*1-2-3;;2*2-1(3,4)5/h1-14H;2*1H3;;2*(H,2,3,4,5)/q;;;+2;;/p-2
InChIKeyQTTGMNPJOHNWDD-UHFFFAOYSA-L
XLogP-4.62
TPSA300.69 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.79
LogP ≤ 5-4.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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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
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
Copper;bis(6-pyridin-2-yl-2-pyridinyl)methanone;diperchlorate
CID 139162094
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
Dioxidanium;bis(6-pyridin-2-yl-2-pyridinyl)methanone;cobalt(2+);diperchlorate
CID 168348032

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate?
The IUPAC name of bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate (CID 139162097) is bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate.
What is the SMILES notation for bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate?
The canonical SMILES for bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate is CC#N.CC#N.O=C(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate?
The InChIKey is QTTGMNPJOHNWDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H14N4O.2C2H3N.Cd.2ClHO4/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*1-2-3;;2*2-1(3,4)5/h1-14H;2*1H3;;2*(H,2,3,4,5)/q;;;+2;;/p-2.
What are the key properties of bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate?
bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate has a molecular weight of 731.79 g/mol, XLogP of -4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);bis(6-pyridin-2-yl-2-pyridinyl)methanone;cadmium(2+);diperchlorate is sourced from PubChem (CID 139162097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).