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

C30H25CdCl2N7O9 — CID 139168678

IUPACbis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
SMILESCC#N.CC#N.OC(c1ccccn1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H19N5O.2C2H3N.Cd.2ClHO4/c32-26(23-13-3-6-18-29-23,24-14-7-11-21(30-24)19-9-1-4-16-27-19)25-15-8-12-22(31-25)20-10-2-5-17-28-20;2*1-2-3;;2*2-1(3,4)5/h1-18,32H;2*1H3;;2*(H,2,3,4,5)/q;;;+2;;/p-2
InChIKeyMHCJIVKSUBUWGH-UHFFFAOYSA-L
MW810.89 g/mol
LogP-4.17
Rot. Bonds5

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

bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate (PubChem CID 139168678) has the molecular formula C30H25CdCl2N7O9 and a molecular weight of 810.89 g/mol. Its IUPAC name is bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate.

Molecular Properties

Compound Namebis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
PubChem CID139168678
Molecular FormulaC30H25CdCl2N7O9
Molecular Weight810.89 g/mol
Exact Mass811.01
IUPAC Namebis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate
SMILESCC#N.CC#N.OC(c1ccccn1)(c1cccc(-c2ccccn2)n1)c1cccc(-c2ccccn2)n1.[Cd+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H19N5O.2C2H3N.Cd.2ClHO4/c32-26(23-13-3-6-18-29-23,24-14-7-11-21(30-24)19-9-1-4-16-27-19)25-15-8-12-22(31-25)20-10-2-5-17-28-20;2*1-2-3;;2*2-1(3,4)5/h1-18,32H;2*1H3;;2*(H,2,3,4,5)/q;;;+2;;/p-2
InChIKeyMHCJIVKSUBUWGH-UHFFFAOYSA-L
XLogP-4.17
TPSA316.74 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.89
LogP ≤ 5-4.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate with MolForge

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Launch Full Analysis

Related Compounds

[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(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(mu~2~-hydroxydi-2-pyridylmethanolato-kappa^4^N,O:O,N')bis[(pyridine-kappaN)copper(II)] bis(perchlorate)
CID 139071977
Bis(di-2-pyridylmethanediol-kappa^2^N,N')palladium(II) bis(perchlorate)
CID 139073238
Tetrasilver;tetrakis([6-[hydroxy(dipyridin-2-yl)methyl]-2-pyridinyl]-dipyridin-2-ylmethanol);tetranitrate
CID 139128020

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
The IUPAC name of bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate (CID 139168678) is bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate.
What is the SMILES notation for bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
The canonical SMILES for bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate is CC#N.CC#N.OC(c1ccccn1)(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);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
The InChIKey is MHCJIVKSUBUWGH-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H19N5O.2C2H3N.Cd.2ClHO4/c32-26(23-13-3-6-18-29-23,24-14-7-11-21(30-24)19-9-1-4-16-27-19)25-15-8-12-22(31-25)20-10-2-5-17-28-20;2*1-2-3;;2*2-1(3,4)5/h1-18,32H;2*1H3;;2*(H,2,3,4,5)/q;;;+2;;/p-2.
What are the key properties of bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate?
bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate has a molecular weight of 810.89 g/mol, XLogP of -4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);cadmium(2+);pyridin-2-yl-bis(6-pyridin-2-yl-2-pyridinyl)methanol;diperchlorate is sourced from PubChem (CID 139168678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).