2-Bromo-3-pyridyl trifluoromethanesulfonate - CAS 157373-97-2

Name: 2-Bromo-3-pyridyl trifluoromethanesulfonate
Brand: BOC Sciences
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Catalog:	BB011316
Product Name:	2-Bromo-3-pyridyl trifluoromethanesulfonate
CAS:	157373-97-2
Synonyms:	(2-bromopyridin-3-yl) trifluoromethanesulfonate

Technical Data

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Computed Properties

IUPAC Name:	(2-bromopyridin-3-yl) trifluoromethanesulfonate
Description:	2-Bromo-3-pyridyl trifluoromethanesulfonate (CAS# 157373-97-2 ) is a useful research chemical.
Molecular Weight:	306.06
Molecular Formula:	C6H3BrF3NO3S
Canonical SMILES:	C1=CC(=C(N=C1)Br)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C6H3BrF3NO3S/c7-5-4(2-1-3-11-5)14-15(12,13)6(8,9)10/h1-3H
InChI Key:	DWJIUNKBHIJMPC-UHFFFAOYSA-N
Boiling Point:	321 °C at 760 mmHg
Density:	1.7869 g/mL at 25 °C
Appearance:	Colorless to yellow liquid
LogP:	3.15330

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Related Functional Groups

Pyridines

[1951441-75-0]C8H13ClN2O
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[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[1087659-19-5]C14H12N2O4
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid

GHS Hazard Statement:	H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
AU-2016356694-A1	Purinones as ubiquitin-specific protease 1 inhibitors	20151120
EP-3377493-A1	Purinones as ubiquitin-specific protease 1 inhibitors	20151120
EP-3377493-B1	Purinones as ubiquitin-specific protease 1 inhibitors	20151120
JP-2019504821-A	Prinones as ubiquitin-specific protease 1 inhibitors	20151120
KR-20180095539-A	Purinone as an ubiquitin-specific protease 1 inhibitor	20151120

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	304.89691
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	304.89691
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6