6-bromo-3-methyl-2-methylsulfonylpyridine

C7H8BrNO2S — CID 162523362

IUPAC6-bromo-3-methyl-2-methylsulfonylpyridine
SMILESCc1ccc(Br)nc1S(C)(=O)=O
InChIInChI=1S/C7H8BrNO2S/c1-5-3-4-6(8)9-7(5)12(2,10)11/h3-4H,1-2H3
InChIKeySWEIEMLGMWCZLW-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.56
Rot. Bonds1

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

6-bromo-3-methyl-2-methylsulfonylpyridine (PubChem CID 162523362) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-methylsulfonylpyridine.

Molecular Properties

Compound Name6-bromo-3-methyl-2-methylsulfonylpyridine
PubChem CID162523362
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name6-bromo-3-methyl-2-methylsulfonylpyridine
SMILESCc1ccc(Br)nc1S(C)(=O)=O
InChIInChI=1S/C7H8BrNO2S/c1-5-3-4-6(8)9-7(5)12(2,10)11/h3-4H,1-2H3
InChIKeySWEIEMLGMWCZLW-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-methylsulfonylpyridine?
The IUPAC name of 6-bromo-3-methyl-2-methylsulfonylpyridine (CID 162523362) is 6-bromo-3-methyl-2-methylsulfonylpyridine.
What is the SMILES notation for 6-bromo-3-methyl-2-methylsulfonylpyridine?
The canonical SMILES for 6-bromo-3-methyl-2-methylsulfonylpyridine is Cc1ccc(Br)nc1S(C)(=O)=O.
What is the InChIKey of 6-bromo-3-methyl-2-methylsulfonylpyridine?
The InChIKey is SWEIEMLGMWCZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-5-3-4-6(8)9-7(5)12(2,10)11/h3-4H,1-2H3.
What are the key properties of 6-bromo-3-methyl-2-methylsulfonylpyridine?
6-bromo-3-methyl-2-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 6-bromo-3-methyl-2-methylsulfonylpyridine is sourced from PubChem (CID 162523362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).