2-bromo-3-methoxy-6-methylsulfonylpyridine

C7H8BrNO3S — CID 162523318

IUPAC2-bromo-3-methoxy-6-methylsulfonylpyridine
SMILESCOc1ccc(S(C)(=O)=O)nc1Br
InChIInChI=1S/C7H8BrNO3S/c1-12-5-3-4-6(9-7(5)8)13(2,10)11/h3-4H,1-2H3
InChIKeyFINUEDAJSKYYLI-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.26
Rot. Bonds2

About 2-bromo-3-methoxy-6-methylsulfonylpyridine

2-bromo-3-methoxy-6-methylsulfonylpyridine (PubChem CID 162523318) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 2-bromo-3-methoxy-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2-bromo-3-methoxy-6-methylsulfonylpyridine
PubChem CID162523318
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name2-bromo-3-methoxy-6-methylsulfonylpyridine
SMILESCOc1ccc(S(C)(=O)=O)nc1Br
InChIInChI=1S/C7H8BrNO3S/c1-12-5-3-4-6(9-7(5)8)13(2,10)11/h3-4H,1-2H3
InChIKeyFINUEDAJSKYYLI-UHFFFAOYSA-N
XLogP1.26
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.26
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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Related Compounds

2-bromo-3-methoxy-6-methylpyridine;ethane
CID 144796120
2-bromo-3-methoxy-6-phenylpyridine
CID 10869126
methyl 2-(6-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098094
5-(4-ethoxyphenoxy)-6-methoxy-2-methylsulfonylquinoline
CID 22139680
(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
CID 117365219
6-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 118826184
N-(6-bromo-5-methoxy-2-pyridinyl)pyrimidin-2-amine
CID 58053387
(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol
CID 122623171
(4-ethoxyphenyl)-(6-methoxy-2-methylsulfonylquinolin-5-yl)methanone
CID 22139727
8-methoxy-2-methylsulfonylquinoline-4-carboxylic acid
CID 15179627
2,4-dimethoxy-6-methylsulfonylpyridine
CID 19077294
2-bromo-3,6-dimethoxy-5-nitropyridine
CID 172541269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxy-6-methylsulfonylpyridine?
The IUPAC name of 2-bromo-3-methoxy-6-methylsulfonylpyridine (CID 162523318) is 2-bromo-3-methoxy-6-methylsulfonylpyridine.
What is the SMILES notation for 2-bromo-3-methoxy-6-methylsulfonylpyridine?
The canonical SMILES for 2-bromo-3-methoxy-6-methylsulfonylpyridine is COc1ccc(S(C)(=O)=O)nc1Br.
What is the InChIKey of 2-bromo-3-methoxy-6-methylsulfonylpyridine?
The InChIKey is FINUEDAJSKYYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c1-12-5-3-4-6(9-7(5)8)13(2,10)11/h3-4H,1-2H3.
What are the key properties of 2-bromo-3-methoxy-6-methylsulfonylpyridine?
2-bromo-3-methoxy-6-methylsulfonylpyridine has a molecular weight of 266.12 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxy-6-methylsulfonylpyridine is sourced from PubChem (CID 162523318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).