2-Bromo-5-(methylsulfonyl)pyridine

• CAS: 343262-51-1
• Catalog Number: ACM343262511
• Category: Bromine Series
• Molecular Weight: 236.09
• Molecular Formula: C₆H₆BrNO₂S
• Synonyms: 2-BROMO-5-(METHYLSULFONYL)PYRIDINE, 343262-51-1, 2-Bromo-5-(methylsulphonyl)pyridine, AG-F-16735, PubChem18617, CTK4H2141, 2-bromo-5-methanesulfonylpyridine, MolPort-001-767-632, 5-Methylsulfonyl-2-bromopyridine;, ACT01533, 2-Bromo-5-(methanesulfonyl)pyridine, ANW-48919, OR3576, ZINC06088234, AKOS005259097, Pyridine,2-bromo-5-(methylsulfonyl)-, MB03435, QC-3905, RP05706, AK-34762
• IUPAC Name: 2-bromo-5-methylsulfonylpyridine
• Canonical SMILES: CS(=O)(=O)C1=CN=C(C=C1)Br
• InChI Key: ZRXQHWYUAIXKRL-UHFFFAOYSA-N
• Boiling Point: 387.7ºC at 760mmHg
• Flash Point: 188.3ºC
• Density: 1.678g/cm³
• EC Number: 608-970-2
• Exact Mass: 234.93000
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-Bromo-5-(methylsulfonyl)pyridine?

The molecular formula is C6H6BrNO2S.

What is the molecular weight of 2-Bromo-5-(methylsulfonyl)pyridine?

The molecular weight is 236.09 g/mol.

What is the IUPAC name of 2-Bromo-5-(methylsulfonyl)pyridine?

The IUPAC name is 2-bromo-5-methylsulfonylpyridine.

What is the InChI of 2-Bromo-5-(methylsulfonyl)pyridine?

The InChI is InChI=1S/C6H6BrNO2S/c1-11(9,10)5-2-3-6(7)8-4-5/h2-4H,1H3.

What is the InChIKey of 2-Bromo-5-(methylsulfonyl)pyridine?

The InChIKey is ZRXQHWYUAIXKRL-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Bromo-5-(methylsulfonyl)pyridine?

The Canonical SMILES is CS(=O)(=O)C1=CN=C(C=C1)Br.

What is the CAS number of 2-Bromo-5-(methylsulfonyl)pyridine?

The CAS number is 343262-51-1.

What is the XLogP3-AA value of 2-Bromo-5-(methylsulfonyl)pyridine?

The XLogP3-AA value is 1.1.

Is 2-Bromo-5-(methylsulfonyl)pyridine a canonicalized compound?

Yes, 2-Bromo-5-(methylsulfonyl)pyridine is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 134872-23-4

• 343262-51-1

Reference: [1]Patent: US2002/58681,2002,A1

Downstream Synthesis Route 1

• 343262-51-1

• 343629-61-8

Reference: [1]Cheng, Hengmiao; Lundy DeMello, Kristin M.; Li, Jin; Sakya, Subas M.; Ando, Kazuo; Kawamura; Kato, Tomoki; Rafka, Robert J.; Jaynes, Burton H.; Ziegler, Carl B.; Stevens, Rod; Lund, Lisa A.; Mann, Donald W.; Kilroy, Carolyn; Haven, Michelle L.; Nimz, Erik L.; Dutra, Jason K.; Li, Chao; Minich, Martha L.; Kolosko, Nicole L.; Petras, Carol; Silvia, Annette M.; Seibel, Scott B.
[Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 8, p. 2076 - 2080]

* For details of the synthesis route, please refer to the original source to ensure accuracy.