bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate

C17H12F2INO3S — CID 87260804

IUPACbis(2-fluorophenyl)iodanium;pyridine-2-sulfonate
SMILESFc1ccccc1[I+]c1ccccc1F.O=S(=O)([O-])c1ccccn1
InChIInChI=1S/C12H8F2I.C5H5NO3S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;7-10(8,9)5-3-1-2-4-6-5/h1-8H;1-4H,(H,7,8,9)/q+1;/p-1
InChIKeyRLUPIPNDVPFARX-UHFFFAOYSA-M
MW475.25 g/mol
LogP0.08
Rot. Bonds3

About bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate

bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate (PubChem CID 87260804) has the molecular formula C17H12F2INO3S and a molecular weight of 475.25 g/mol. Its IUPAC name is bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate.

Molecular Properties

Compound Namebis(2-fluorophenyl)iodanium;pyridine-2-sulfonate
PubChem CID87260804
Molecular FormulaC17H12F2INO3S
Molecular Weight475.25 g/mol
Exact Mass474.96
IUPAC Namebis(2-fluorophenyl)iodanium;pyridine-2-sulfonate
SMILESFc1ccccc1[I+]c1ccccc1F.O=S(=O)([O-])c1ccccn1
InChIInChI=1S/C12H8F2I.C5H5NO3S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;7-10(8,9)5-3-1-2-4-6-5/h1-8H;1-4H,(H,7,8,9)/q+1;/p-1
InChIKeyRLUPIPNDVPFARX-UHFFFAOYSA-M
XLogP0.08
TPSA70.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.25
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate?
The IUPAC name of bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate (CID 87260804) is bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate.
What is the SMILES notation for bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate?
The canonical SMILES for bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate is Fc1ccccc1[I+]c1ccccc1F.O=S(=O)([O-])c1ccccn1.
What is the InChIKey of bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate?
The InChIKey is RLUPIPNDVPFARX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8F2I.C5H5NO3S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;7-10(8,9)5-3-1-2-4-6-5/h1-8H;1-4H,(H,7,8,9)/q+1;/p-1.
What are the key properties of bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate?
bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate has a molecular weight of 475.25 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluorophenyl)iodanium;pyridine-2-sulfonate is sourced from PubChem (CID 87260804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).