(2-fluorophenyl) 2-iodopyridine-3-sulfonate

C11H7FINO3S — CID 151364537

IUPAC(2-fluorophenyl) 2-iodopyridine-3-sulfonate
SMILESO=S(=O)(Oc1ccccc1F)c1cccnc1I
InChIInChI=1S/C11H7FINO3S/c12-8-4-1-2-5-9(8)17-18(15,16)10-6-3-7-14-11(10)13/h1-7H
InChIKeyOPDOVFIZGJRYQV-UHFFFAOYSA-N
MW379.15 g/mol
LogP2.59
Rot. Bonds3

About (2-fluorophenyl) 2-iodopyridine-3-sulfonate

(2-fluorophenyl) 2-iodopyridine-3-sulfonate (PubChem CID 151364537) has the molecular formula C11H7FINO3S and a molecular weight of 379.15 g/mol. Its IUPAC name is (2-fluorophenyl) 2-iodopyridine-3-sulfonate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-iodopyridine-3-sulfonate
PubChem CID151364537
Molecular FormulaC11H7FINO3S
Molecular Weight379.15 g/mol
Exact Mass378.92
IUPAC Name(2-fluorophenyl) 2-iodopyridine-3-sulfonate
SMILESO=S(=O)(Oc1ccccc1F)c1cccnc1I
InChIInChI=1S/C11H7FINO3S/c12-8-4-1-2-5-9(8)17-18(15,16)10-6-3-7-14-11(10)13/h1-7H
InChIKeyOPDOVFIZGJRYQV-UHFFFAOYSA-N
XLogP2.59
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.15
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-iodopyridine-3-sulfonate?
The IUPAC name of (2-fluorophenyl) 2-iodopyridine-3-sulfonate (CID 151364537) is (2-fluorophenyl) 2-iodopyridine-3-sulfonate.
What is the SMILES notation for (2-fluorophenyl) 2-iodopyridine-3-sulfonate?
The canonical SMILES for (2-fluorophenyl) 2-iodopyridine-3-sulfonate is O=S(=O)(Oc1ccccc1F)c1cccnc1I.
What is the InChIKey of (2-fluorophenyl) 2-iodopyridine-3-sulfonate?
The InChIKey is OPDOVFIZGJRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FINO3S/c12-8-4-1-2-5-9(8)17-18(15,16)10-6-3-7-14-11(10)13/h1-7H.
What are the key properties of (2-fluorophenyl) 2-iodopyridine-3-sulfonate?
(2-fluorophenyl) 2-iodopyridine-3-sulfonate has a molecular weight of 379.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) 2-iodopyridine-3-sulfonate is sourced from PubChem (CID 151364537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).