acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate

C23H19CdCl2N5O9 — CID 139168673

IUPACacetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
SMILESCC#N.OC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H16N4O.C2H3N.Cd.2ClHO4/c26-21(18-10-2-5-14-23-18,19-11-3-6-15-24-19)20-12-7-9-17(25-20)16-8-1-4-13-22-16;1-2-3;;2*2-1(3,4)5/h1-15,26H;1H3;;2*(H,2,3,4,5)/q;;+2;;/p-2
InChIKeyKKISFIGHYBIQPG-UHFFFAOYSA-L
MW692.75 g/mol
LogP-5.77
Rot. Bonds4

About acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate

acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate (PubChem CID 139168673) has the molecular formula C23H19CdCl2N5O9 and a molecular weight of 692.75 g/mol. Its IUPAC name is acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate.

Molecular Properties

Compound Nameacetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
PubChem CID139168673
Molecular FormulaC23H19CdCl2N5O9
Molecular Weight692.75 g/mol
Exact Mass692.96
IUPAC Nameacetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
SMILESCC#N.OC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H16N4O.C2H3N.Cd.2ClHO4/c26-21(18-10-2-5-14-23-18,19-11-3-6-15-24-19)20-12-7-9-17(25-20)16-8-1-4-13-22-16;1-2-3;;2*2-1(3,4)5/h1-15,26H;1H3;;2*(H,2,3,4,5)/q;;+2;;/p-2
InChIKeyKKISFIGHYBIQPG-UHFFFAOYSA-L
XLogP-5.77
TPSA280.06 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.75
LogP ≤ 5-5.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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Related Compounds

Pyrinoline
CID 3052765
[Co(bpyPY2OH)(MeCN)(OTf)](OTf)
CID 139042188
2,6-Bis[bis(2-pyridyl)hydroxymethyl]pyridine
CID 90820104
Tris(6-pyridin-2-yl-2-pyridinyl)methanol
CID 90818925
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-pyridylmethandiol)copper(II) diperchlorate
CID 139056061
Bis[tris(pyridin-2-yl)methanol-kappa^2^N]palladium(II) dinitrate
CID 139059298
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

Frequently Asked Questions

What is the IUPAC name of acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
The IUPAC name of acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate (CID 139168673) is acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate.
What is the SMILES notation for acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
The canonical SMILES for acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate is CC#N.OC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
The InChIKey is KKISFIGHYBIQPG-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H16N4O.C2H3N.Cd.2ClHO4/c26-21(18-10-2-5-14-23-18,19-11-3-6-15-24-19)20-12-7-9-17(25-20)16-8-1-4-13-22-16;1-2-3;;2*2-1(3,4)5/h1-15,26H;1H3;;2*(H,2,3,4,5)/q;;+2;;/p-2.
What are the key properties of acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate has a molecular weight of 692.75 g/mol, XLogP of -5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;cadmium(2+);dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate is sourced from PubChem (CID 139168673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).