2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide

C17H12AuF6N3O7S2 — CID 139123496

IUPAC2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Au+3].[OH-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.2CHF3O3S.Au.H2O/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*2-1(3,4)8(5,6)7;;/h1-11H;2*(H,5,6,7);;1H2/q;;;+3;/p-3
InChIKeyDFJIECZYJFMBAK-UHFFFAOYSA-K
MW745.39 g/mol
LogP3.13
Rot. Bonds2

About 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide

2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide (PubChem CID 139123496) has the molecular formula C17H12AuF6N3O7S2 and a molecular weight of 745.39 g/mol. Its IUPAC name is 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide.

Molecular Properties

Compound Name2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide
PubChem CID139123496
Molecular FormulaC17H12AuF6N3O7S2
Molecular Weight745.39 g/mol
Exact Mass744.97
IUPAC Name2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Au+3].[OH-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.2CHF3O3S.Au.H2O/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*2-1(3,4)8(5,6)7;;/h1-11H;2*(H,5,6,7);;1H2/q;;;+3;/p-3
InChIKeyDFJIECZYJFMBAK-UHFFFAOYSA-K
XLogP3.13
TPSA183.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500745.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
N,N'-difluoro-2,2'-bipyridinium bis(trifluoromethane-sulfonate)
CID 10814995
tris-(2,2'-bipyridine)cobalt(III)tri(bis(trifluoromethane)sulfonimide)
CID 168434989
tris-(2,2'-bipyridine)cobalt(II)di(bis(trifluoromethane)sulfonimide)
CID 170898766
chloro(2,2':6',2''-terpyridine-kappa~3~N~1~,N~1'~,N~1''~)platinum(1+)
CID 4319701
[Fe(OTf)2(tpa)]
CID 53314868
[Fe(OTf)2(bpbp)]
CID 53314869
1-N,2-N-dimethyl-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53350274
iron(2+);1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine;bis(trifluoromethanesulfonate)
CID 53350275
Acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53350277
N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);bis(trifluoromethanesulfonate)
CID 53350281
iron(2+);2-[[(2S)-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;bis(trifluoromethanesulfonate)
CID 53350283

Frequently Asked Questions

What is the IUPAC name of 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide?
The IUPAC name of 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide (CID 139123496) is 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide.
What is the SMILES notation for 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide?
The canonical SMILES for 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Au+3].[OH-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide?
The InChIKey is DFJIECZYJFMBAK-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H11N3.2CHF3O3S.Au.H2O/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*2-1(3,4)8(5,6)7;;/h1-11H;2*(H,5,6,7);;1H2/q;;;+3;/p-3.
What are the key properties of 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide?
2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide has a molecular weight of 745.39 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipyridin-2-ylpyridine;gold(3+);bis(trifluoromethanesulfonate);hydroxide is sourced from PubChem (CID 139123496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).