(6-methylsulfonyl-3-pyridinyl)boronic acid

C6H8BNO4S — CID 53216744

IUPAC(6-methylsulfonyl-3-pyridinyl)boronic acid
SMILESCS(=O)(=O)c1ccc(B(O)O)cn1
InChIInChI=1S/C6H8BNO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
InChIKeyOBWIRUCBMIYFBP-UHFFFAOYSA-N
MW201.01 g/mol
LogP-1.84
Rot. Bonds2

About (6-methylsulfonyl-3-pyridinyl)boronic acid

(6-methylsulfonyl-3-pyridinyl)boronic acid (PubChem CID 53216744) has the molecular formula C6H8BNO4S and a molecular weight of 201.01 g/mol. Its IUPAC name is (6-methylsulfonyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-methylsulfonyl-3-pyridinyl)boronic acid
PubChem CID53216744
Molecular FormulaC6H8BNO4S
Molecular Weight201.01 g/mol
Exact Mass201.03
IUPAC Name(6-methylsulfonyl-3-pyridinyl)boronic acid
SMILESCS(=O)(=O)c1ccc(B(O)O)cn1
InChIInChI=1S/C6H8BNO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3
InChIKeyOBWIRUCBMIYFBP-UHFFFAOYSA-N
XLogP-1.84
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.01
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6-methylsulfonyl-3-pyridinyl)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 (6-methylsulfonyl-3-pyridinyl)boronic acid?
The IUPAC name of (6-methylsulfonyl-3-pyridinyl)boronic acid (CID 53216744) is (6-methylsulfonyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-methylsulfonyl-3-pyridinyl)boronic acid?
The canonical SMILES for (6-methylsulfonyl-3-pyridinyl)boronic acid is CS(=O)(=O)c1ccc(B(O)O)cn1.
What is the InChIKey of (6-methylsulfonyl-3-pyridinyl)boronic acid?
The InChIKey is OBWIRUCBMIYFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3.
What are the key properties of (6-methylsulfonyl-3-pyridinyl)boronic acid?
(6-methylsulfonyl-3-pyridinyl)boronic acid has a molecular weight of 201.01 g/mol, XLogP of -1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylsulfonyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 53216744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).