2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine

C16H12FNO3S — CID 22181962

IUPAC2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cocc2-c2ccc(F)nc2)cc1
InChIInChI=1S/C16H12FNO3S/c1-22(19,20)13-5-2-11(3-6-13)14-9-21-10-15(14)12-4-7-16(17)18-8-12/h2-10H,1H3
InChIKeyNUZPDVHCURRBSD-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.55
Rot. Bonds3

About 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine

2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (PubChem CID 22181962) has the molecular formula C16H12FNO3S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.

Molecular Properties

Compound Name2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
PubChem CID22181962
Molecular FormulaC16H12FNO3S
Molecular Weight317.34 g/mol
Exact Mass317.05
IUPAC Name2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cocc2-c2ccc(F)nc2)cc1
InChIInChI=1S/C16H12FNO3S/c1-22(19,20)13-5-2-11(3-6-13)14-9-21-10-15(14)12-4-7-16(17)18-8-12/h2-10H,1H3
InChIKeyNUZPDVHCURRBSD-UHFFFAOYSA-N
XLogP3.55
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.55
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-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The IUPAC name of 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine (CID 22181962) is 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine.
What is the SMILES notation for 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The canonical SMILES for 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is CS(=O)(=O)c1ccc(-c2cocc2-c2ccc(F)nc2)cc1.
What is the InChIKey of 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
The InChIKey is NUZPDVHCURRBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3S/c1-22(19,20)13-5-2-11(3-6-13)14-9-21-10-15(14)12-4-7-16(17)18-8-12/h2-10H,1H3.
What are the key properties of 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine?
2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine has a molecular weight of 317.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[4-(4-methylsulfonylphenyl)furan-3-yl]pyridine is sourced from PubChem (CID 22181962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).