iridium;2-phenylpyridine;trifluoromethanesulfonic acid

C12H10F3IrNO3S — CID 87382169

IUPACiridium;2-phenylpyridine;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[Ir].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H9N.CHF3O3S.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;2-1(3,4)8(5,6)7;/h1-9H;(H,5,6,7);
InChIKeyGRKWGQOERCXBMN-UHFFFAOYSA-N
MW497.49 g/mol
LogP3.14
Rot. Bonds1

About iridium;2-phenylpyridine;trifluoromethanesulfonic acid

iridium;2-phenylpyridine;trifluoromethanesulfonic acid (PubChem CID 87382169) has the molecular formula C12H10F3IrNO3S and a molecular weight of 497.49 g/mol. Its IUPAC name is iridium;2-phenylpyridine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;trifluoromethanesulfonic acid
PubChem CID87382169
Molecular FormulaC12H10F3IrNO3S
Molecular Weight497.49 g/mol
Exact Mass498.00
IUPAC Nameiridium;2-phenylpyridine;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.[Ir].c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C11H9N.CHF3O3S.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;2-1(3,4)8(5,6)7;/h1-9H;(H,5,6,7);
InChIKeyGRKWGQOERCXBMN-UHFFFAOYSA-N
XLogP3.14
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;trifluoromethanesulfonic acid?
The IUPAC name of iridium;2-phenylpyridine;trifluoromethanesulfonic acid (CID 87382169) is iridium;2-phenylpyridine;trifluoromethanesulfonic acid.
What is the SMILES notation for iridium;2-phenylpyridine;trifluoromethanesulfonic acid?
The canonical SMILES for iridium;2-phenylpyridine;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.[Ir].c1ccc(-c2ccccn2)cc1.
What is the InChIKey of iridium;2-phenylpyridine;trifluoromethanesulfonic acid?
The InChIKey is GRKWGQOERCXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N.CHF3O3S.Ir/c1-2-6-10(7-3-1)11-8-4-5-9-12-11;2-1(3,4)8(5,6)7;/h1-9H;(H,5,6,7);.
What are the key properties of iridium;2-phenylpyridine;trifluoromethanesulfonic acid?
iridium;2-phenylpyridine;trifluoromethanesulfonic acid has a molecular weight of 497.49 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;trifluoromethanesulfonic acid is sourced from PubChem (CID 87382169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).