3-Bromo-5-(methylsulphonyl)pyridine - CAS 445491-71-4

Catalog:	BB025642
Product Name:	3-Bromo-5-(methylsulphonyl)pyridine
CAS:	445491-71-4
Synonyms:	3-bromo-5-methylsulfonylpyridine; 3-bromo-5-methylsulfonylpyridine

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-bromo-5-methylsulfonylpyridine
Description:	3-Bromo-5-(methylsulphonyl)pyridine (CAS# 445491-71-4) is a useful research chemical.
Molecular Weight:	236.09
Molecular Formula:	C6H6BrNO2S
Canonical SMILES:	CS(=O)(=O)C1=CC(=CN=C1)Br
InChI:	InChI=1S/C6H6BrNO2S/c1-11(9,10)6-2-5(7)3-8-4-6/h2-4H,1H3
InChI Key:	CNAIMMQZMLBREW-UHFFFAOYSA-N
Boiling Point:	381.6 °C at 760 mmHg
Density:	1.678 g/cm³
Appearance:	Solid
MDL:	MFCD09801057
LogP:	2.32840

Publication Number	Title	Priority Date
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
WO-2021099527-A1	Pyrrolidine derivatives	20191122
US-2020140411-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
WO-2020092667-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
TW-202031643-A	2- amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102

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Related Functional Groups

Pyridines

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[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[856848-33-4]
2-Amino-4,5-dibromopyridine
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.93026
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.93026
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8