(2-fluorophenyl) pyridine-3-sulfonate

C11H8FNO3S — CID 60548922

IUPAC(2-fluorophenyl) pyridine-3-sulfonate
SMILESO=S(=O)(Oc1ccccc1F)c1cccnc1
InChIInChI=1S/C11H8FNO3S/c12-10-5-1-2-6-11(10)16-17(14,15)9-4-3-7-13-8-9/h1-8H
InChIKeyAHCHVJGUOSRUOG-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.99
Rot. Bonds3

About (2-fluorophenyl) pyridine-3-sulfonate

(2-fluorophenyl) pyridine-3-sulfonate (PubChem CID 60548922) has the molecular formula C11H8FNO3S and a molecular weight of 253.25 g/mol. Its IUPAC name is (2-fluorophenyl) pyridine-3-sulfonate.

Molecular Properties

Compound Name(2-fluorophenyl) pyridine-3-sulfonate
PubChem CID60548922
Molecular FormulaC11H8FNO3S
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name(2-fluorophenyl) pyridine-3-sulfonate
SMILESO=S(=O)(Oc1ccccc1F)c1cccnc1
InChIInChI=1S/C11H8FNO3S/c12-10-5-1-2-6-11(10)16-17(14,15)9-4-3-7-13-8-9/h1-8H
InChIKeyAHCHVJGUOSRUOG-UHFFFAOYSA-N
XLogP1.99
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) pyridine-3-sulfonate?
The IUPAC name of (2-fluorophenyl) pyridine-3-sulfonate (CID 60548922) is (2-fluorophenyl) pyridine-3-sulfonate.
What is the SMILES notation for (2-fluorophenyl) pyridine-3-sulfonate?
The canonical SMILES for (2-fluorophenyl) pyridine-3-sulfonate is O=S(=O)(Oc1ccccc1F)c1cccnc1.
What is the InChIKey of (2-fluorophenyl) pyridine-3-sulfonate?
The InChIKey is AHCHVJGUOSRUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO3S/c12-10-5-1-2-6-11(10)16-17(14,15)9-4-3-7-13-8-9/h1-8H.
What are the key properties of (2-fluorophenyl) pyridine-3-sulfonate?
(2-fluorophenyl) pyridine-3-sulfonate has a molecular weight of 253.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl) pyridine-3-sulfonate is sourced from PubChem (CID 60548922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).