2-bromo-3-methyl-6-methylsulfonylpyridine

C7H8BrNO2S — CID 88546488

IUPAC2-bromo-3-methyl-6-methylsulfonylpyridine
SMILESCc1ccc(S(C)(=O)=O)nc1Br
InChIInChI=1S/C7H8BrNO2S/c1-5-3-4-6(9-7(5)8)12(2,10)11/h3-4H,1-2H3
InChIKeyVZWDDFPSCBWFFT-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.56
Rot. Bonds1

About 2-bromo-3-methyl-6-methylsulfonylpyridine

2-bromo-3-methyl-6-methylsulfonylpyridine (PubChem CID 88546488) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-bromo-3-methyl-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2-bromo-3-methyl-6-methylsulfonylpyridine
PubChem CID88546488
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name2-bromo-3-methyl-6-methylsulfonylpyridine
SMILESCc1ccc(S(C)(=O)=O)nc1Br
InChIInChI=1S/C7H8BrNO2S/c1-5-3-4-6(9-7(5)8)12(2,10)11/h3-4H,1-2H3
InChIKeyVZWDDFPSCBWFFT-UHFFFAOYSA-N
XLogP1.56
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-3-methyl-6-methylsulfonylpyridine 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 2-bromo-3-methyl-6-methylsulfonylpyridine?
The IUPAC name of 2-bromo-3-methyl-6-methylsulfonylpyridine (CID 88546488) is 2-bromo-3-methyl-6-methylsulfonylpyridine.
What is the SMILES notation for 2-bromo-3-methyl-6-methylsulfonylpyridine?
The canonical SMILES for 2-bromo-3-methyl-6-methylsulfonylpyridine is Cc1ccc(S(C)(=O)=O)nc1Br.
What is the InChIKey of 2-bromo-3-methyl-6-methylsulfonylpyridine?
The InChIKey is VZWDDFPSCBWFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-5-3-4-6(9-7(5)8)12(2,10)11/h3-4H,1-2H3.
What are the key properties of 2-bromo-3-methyl-6-methylsulfonylpyridine?
2-bromo-3-methyl-6-methylsulfonylpyridine has a molecular weight of 250.12 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-6-methylsulfonylpyridine is sourced from PubChem (CID 88546488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).