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

C23H19Cl2N5NiO9 — CID 139168671

IUPACacetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate
SMILESCC#N.OC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H16N4O.C2H3N.2ClHO4.Ni/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
InChIKeyDJXBIFMLIOEYAO-UHFFFAOYSA-L
MW639.03 g/mol
LogP-5.77
Rot. Bonds4

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

acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate (PubChem CID 139168671) has the molecular formula C23H19Cl2N5NiO9 and a molecular weight of 639.03 g/mol. Its IUPAC name is acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate.

Molecular Properties

Compound Nameacetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate
PubChem CID139168671
Molecular FormulaC23H19Cl2N5NiO9
Molecular Weight639.03 g/mol
Exact Mass636.99
IUPAC Nameacetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate
SMILESCC#N.OC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H16N4O.C2H3N.2ClHO4.Ni/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
InChIKeyDJXBIFMLIOEYAO-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 ≤ 500639.03
LogP ≤ 5-5.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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

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Launch Full Analysis

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;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate?
The IUPAC name of acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate (CID 139168671) is acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate.
What is the SMILES notation for acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate?
The canonical SMILES for acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate is CC#N.OC(c1ccccn1)(c1ccccn1)c1cccc(-c2ccccn2)n1.[Ni+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate?
The InChIKey is DJXBIFMLIOEYAO-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H16N4O.C2H3N.2ClHO4.Ni/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;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate?
acetonitrile;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate has a molecular weight of 639.03 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;dipyridin-2-yl-(6-pyridin-2-yl-2-pyridinyl)methanol;nickel(2+);diperchlorate is sourced from PubChem (CID 139168671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).