2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine

C14H10F2N2O3S — CID 141428917

IUPAC2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine
SMILESCc1occc1S(=O)(=O)n1ccc(F)c1-c1cccnc1F
InChIInChI=1S/C14H10F2N2O3S/c1-9-12(5-8-21-9)22(19,20)18-7-4-11(15)13(18)10-3-2-6-17-14(10)16/h2-8H,1H3
InChIKeyLZTSYADBFDEYNG-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.97
Rot. Bonds3

About 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine

2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine (PubChem CID 141428917) has the molecular formula C14H10F2N2O3S and a molecular weight of 324.31 g/mol. Its IUPAC name is 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine
PubChem CID141428917
Molecular FormulaC14H10F2N2O3S
Molecular Weight324.31 g/mol
Exact Mass324.04
IUPAC Name2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine
SMILESCc1occc1S(=O)(=O)n1ccc(F)c1-c1cccnc1F
InChIInChI=1S/C14H10F2N2O3S/c1-9-12(5-8-21-9)22(19,20)18-7-4-11(15)13(18)10-3-2-6-17-14(10)16/h2-8H,1H3
InChIKeyLZTSYADBFDEYNG-UHFFFAOYSA-N
XLogP2.97
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine?
The IUPAC name of 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine (CID 141428917) is 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine.
What is the SMILES notation for 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine?
The canonical SMILES for 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine is Cc1occc1S(=O)(=O)n1ccc(F)c1-c1cccnc1F.
What is the InChIKey of 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine?
The InChIKey is LZTSYADBFDEYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3S/c1-9-12(5-8-21-9)22(19,20)18-7-4-11(15)13(18)10-3-2-6-17-14(10)16/h2-8H,1H3.
What are the key properties of 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine?
2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine has a molecular weight of 324.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[3-fluoro-1-(2-methylfuran-3-yl)sulfonylpyrrol-2-yl]pyridine is sourced from PubChem (CID 141428917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).