acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate

C18H14F3N4O3RhS- — CID 139157902

IUPACacetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate
SMILESCC#N.O=S(=O)([O-])C(F)(F)F.[Rh].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C2H3N.CHF3O3S.Rh/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2-1(3,4)8(5,6)7;/h1-11H;1H3;(H,5,6,7);/p-1
InChIKeyFSDDJEIBWNCKLW-UHFFFAOYSA-M
MW526.30 g/mol
LogP3.78
Rot. Bonds2

About acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate

acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate (PubChem CID 139157902) has the molecular formula C18H14F3N4O3RhS- and a molecular weight of 526.30 g/mol. Its IUPAC name is acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate.

Molecular Properties

Compound Nameacetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate
PubChem CID139157902
Molecular FormulaC18H14F3N4O3RhS-
Molecular Weight526.30 g/mol
Exact Mass525.98
IUPAC Nameacetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate
SMILESCC#N.O=S(=O)([O-])C(F)(F)F.[Rh].c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/C15H11N3.C2H3N.CHF3O3S.Rh/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2-1(3,4)8(5,6)7;/h1-11H;1H3;(H,5,6,7);/p-1
InChIKeyFSDDJEIBWNCKLW-UHFFFAOYSA-M
XLogP3.78
TPSA119.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
chloro(2,2':6',2''-terpyridine-kappa~3~N~1~,N~1'~,N~1''~)platinum(1+)
CID 4319701
[Fe(OTf)2(bpbp)]
CID 53314869
Acetonitrile;1-(dipyridin-2-ylmethyl)-4,7-dimethyl-1,4,7-triazonane;iron(2+);bis(trifluoromethanesulfonate)
CID 53314872
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
Bis(palladium(2+));bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate);dihydroxide
CID 139039543
Cobalt(2+);2-pyridin-2-yl-6-[3-(6-pyridin-2-yl-2-pyridinyl)propyl]pyridine;bis(trifluoromethanesulfonate)
CID 139042189
ZINC;bis(2-pyridin-2-ylpyridine);bis(trifluoromethanesulfonate)
CID 139048111
2,2'-Bipyridyl-9-boroniumbicyclo[3.3.1]nonane trifluoromethanesulfonate
CID 139064871

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate?
The IUPAC name of acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate (CID 139157902) is acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate.
What is the SMILES notation for acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate?
The canonical SMILES for acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate is CC#N.O=S(=O)([O-])C(F)(F)F.[Rh].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate?
The InChIKey is FSDDJEIBWNCKLW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H11N3.C2H3N.CHF3O3S.Rh/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-2-3;2-1(3,4)8(5,6)7;/h1-11H;1H3;(H,5,6,7);/p-1.
What are the key properties of acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate?
acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate has a molecular weight of 526.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2,6-dipyridin-2-ylpyridine;rhodium;trifluoromethanesulfonate is sourced from PubChem (CID 139157902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).