iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid

C17H12F3IrN2O3S- — CID 58675858

IUPACiridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(C(F)(F)F)cn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C6H4F3NO3S.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6(8,9)4-1-2-5(10-3-4)14(11,12)13;/h1-6,8-9H;1-3H,(H,11,12,13);/q-1;;
InChIKeyWTBFIMHNBIPGCX-UHFFFAOYSA-N
MW573.57 g/mol
LogP3.89
Rot. Bonds2

About iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid

iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid (PubChem CID 58675858) has the molecular formula C17H12F3IrN2O3S- and a molecular weight of 573.57 g/mol. Its IUPAC name is iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid
PubChem CID58675858
Molecular FormulaC17H12F3IrN2O3S-
Molecular Weight573.57 g/mol
Exact Mass574.02
IUPAC Nameiridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(C(F)(F)F)cn1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C11H8N.C6H4F3NO3S.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6(8,9)4-1-2-5(10-3-4)14(11,12)13;/h1-6,8-9H;1-3H,(H,11,12,13);/q-1;;
InChIKeyWTBFIMHNBIPGCX-UHFFFAOYSA-N
XLogP3.89
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.57
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-Difluorobenzene-6-id-1-yl)pyridine;iridium;pyridin-2-ylmethyl(trifluoromethylsulfonyl)azanide
CID 20807187
Platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine;trifluoromethanesulfonic acid
CID 21024803
CID 57668845
CID 57668845
Iridium(3+);2-isocyano-2-methylpropane;bis(2-phenylpyridine);trifluoromethanesulfonic acid
CID 58037235
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;5-(trifluoromethyl)pyridine-2-sulfonic acid
CID 58675827
Iridium;2-phenylpyridine;4-(trifluoromethoxy)pyridine-2-sulfonic acid
CID 58675830
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;4-(dimethylamino)pyridine-2-sulfonic acid;iridium
CID 58675848
Iridium;2-phenylpyridine;4-(trifluoromethyl)pyridine-2-sulfonic acid
CID 58675851
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;pyrimidine-4-sulfonic acid
CID 58675862
Iridium;4-propan-2-yl-2-[3-(trifluoromethylperoxysulfanyl)benzene-6-id-1-yl]pyridine;pyridine-2-sulfonic acid
CID 58675885
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;iridium;1,3,5-triazine-2-sulfonic acid
CID 58675908
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-4-propan-2-ylpyridine;iridium;pyridine-2-sulfonic acid
CID 58675913

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid?
The IUPAC name of iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid (CID 58675858) is iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid.
What is the SMILES notation for iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid?
The canonical SMILES for iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid is O=S(=O)(O)c1ccc(C(F)(F)F)cn1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid?
The InChIKey is WTBFIMHNBIPGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N.C6H4F3NO3S.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6(8,9)4-1-2-5(10-3-4)14(11,12)13;/h1-6,8-9H;1-3H,(H,11,12,13);/q-1;;.
What are the key properties of iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid?
iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid has a molecular weight of 573.57 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;5-(trifluoromethyl)pyridine-2-sulfonic acid is sourced from PubChem (CID 58675858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).