2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate

C30H30F6N5NiO3P — CID 139171642

IUPAC2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate
SMILESCCOCC.F[P-](F)(F)(F)(F)F.[H]/N=C(/OC)c1ccc2cccc([O-])c2n1.[Ni+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C11H10N2O2.C4H10O.F6P.Ni/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-15-11(12)8-6-5-7-3-2-4-9(14)10(7)13-8;1-3-5-4-2;1-7(2,3,4,5)6;/h1-11H;2-6,12,14H,1H3;3-4H2,1-2H3;;/q;;;-1;+2/p-1/b;12-11+;;;
InChIKeyHXPGOQWFEIUYGV-HDWVHSOMSA-M
MW712.26 g/mol
LogP8.91
Rot. Bonds5

About 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate

2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate (PubChem CID 139171642) has the molecular formula C30H30F6N5NiO3P and a molecular weight of 712.26 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate
PubChem CID139171642
Molecular FormulaC30H30F6N5NiO3P
Molecular Weight712.26 g/mol
Exact Mass711.13
IUPAC Name2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate
SMILESCCOCC.F[P-](F)(F)(F)(F)F.[H]/N=C(/OC)c1ccc2cccc([O-])c2n1.[Ni+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C11H10N2O2.C4H10O.F6P.Ni/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-15-11(12)8-6-5-7-3-2-4-9(14)10(7)13-8;1-3-5-4-2;1-7(2,3,4,5)6;/h1-11H;2-6,12,14H,1H3;3-4H2,1-2H3;;/q;;;-1;+2/p-1/b;12-11+;;;
InChIKeyHXPGOQWFEIUYGV-HDWVHSOMSA-M
XLogP8.91
TPSA116.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.26
LogP ≤ 58.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate (CID 139171642) is 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate is CCOCC.F[P-](F)(F)(F)(F)F.[H]/N=C(/OC)c1ccc2cccc([O-])c2n1.[Ni+2].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate?
The InChIKey is HXPGOQWFEIUYGV-HDWVHSOMSA-M. The full InChI is InChI=1S/C15H11N3.C11H10N2O2.C4H10O.F6P.Ni/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-15-11(12)8-6-5-7-3-2-4-9(14)10(7)13-8;1-3-5-4-2;1-7(2,3,4,5)6;/h1-11H;2-6,12,14H,1H3;3-4H2,1-2H3;;/q;;;-1;+2/p-1/b;12-11+;;;.
What are the key properties of 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate?
2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate has a molecular weight of 712.26 g/mol, XLogP of 8.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;ethoxyethane;2-(C-methoxycarbonimidoyl)quinolin-8-olate;nickel(2+);hexafluorophosphate is sourced from PubChem (CID 139171642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).