2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine

C14H12FNO3S — CID 155553157

IUPAC2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccc(S(=O)(=O)/C=C/c2ccc(F)nc2)cc1
InChIInChI=1S/C14H12FNO3S/c1-19-12-3-5-13(6-4-12)20(17,18)9-8-11-2-7-14(15)16-10-11/h2-10H,1H3/b9-8+
InChIKeyJYCIUKRPZGXUDG-CMDGGOBGSA-N
MW293.32 g/mol
LogP2.67
Rot. Bonds4

About 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine

2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine (PubChem CID 155553157) has the molecular formula C14H12FNO3S and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
PubChem CID155553157
Molecular FormulaC14H12FNO3S
Molecular Weight293.32 g/mol
Exact Mass293.05
IUPAC Name2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine
SMILESCOc1ccc(S(=O)(=O)/C=C/c2ccc(F)nc2)cc1
InChIInChI=1S/C14H12FNO3S/c1-19-12-3-5-13(6-4-12)20(17,18)9-8-11-2-7-14(15)16-10-11/h2-10H,1H3/b9-8+
InChIKeyJYCIUKRPZGXUDG-CMDGGOBGSA-N
XLogP2.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine (CID 155553157) is 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine is COc1ccc(S(=O)(=O)/C=C/c2ccc(F)nc2)cc1.
What is the InChIKey of 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
The InChIKey is JYCIUKRPZGXUDG-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H12FNO3S/c1-19-12-3-5-13(6-4-12)20(17,18)9-8-11-2-7-14(15)16-10-11/h2-10H,1H3/b9-8+.
What are the key properties of 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine?
2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine has a molecular weight of 293.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(E)-2-(4-methoxyphenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 155553157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).