[5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid

C11H10BFN2O2S — CID 55249092

IUPAC[5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid
SMILESOB(O)c1cc(F)ccc1CSc1cnccn1
InChIInChI=1S/C11H10BFN2O2S/c13-9-2-1-8(10(5-9)12(16)17)7-18-11-6-14-3-4-15-11/h1-6,16-17H,7H2
InChIKeyMZNXGDFDEPETPO-UHFFFAOYSA-N
MW264.09 g/mol
LogP0.59
Rot. Bonds4

About [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid

[5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid (PubChem CID 55249092) has the molecular formula C11H10BFN2O2S and a molecular weight of 264.09 g/mol. Its IUPAC name is [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid
PubChem CID55249092
Molecular FormulaC11H10BFN2O2S
Molecular Weight264.09 g/mol
Exact Mass264.05
IUPAC Name[5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid
SMILESOB(O)c1cc(F)ccc1CSc1cnccn1
InChIInChI=1S/C11H10BFN2O2S/c13-9-2-1-8(10(5-9)12(16)17)7-18-11-6-14-3-4-15-11/h1-6,16-17H,7H2
InChIKeyMZNXGDFDEPETPO-UHFFFAOYSA-N
XLogP0.59
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid?
The IUPAC name of [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid (CID 55249092) is [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid.
What is the SMILES notation for [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid?
The canonical SMILES for [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid is OB(O)c1cc(F)ccc1CSc1cnccn1.
What is the InChIKey of [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid?
The InChIKey is MZNXGDFDEPETPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BFN2O2S/c13-9-2-1-8(10(5-9)12(16)17)7-18-11-6-14-3-4-15-11/h1-6,16-17H,7H2.
What are the key properties of [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid?
[5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid has a molecular weight of 264.09 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(pyrazin-2-ylsulfanylmethyl)phenyl]boronic acid is sourced from PubChem (CID 55249092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).