5-Acetyl-2-bromopyridine - CAS 139042-59-4

Name: 5-Acetyl-2-bromopyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB008878
Product Name:	5-Acetyl-2-bromopyridine
CAS:	139042-59-4
Synonyms:	1-(6-bromopyridin-3-yl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(6-bromopyridin-3-yl)ethanone
Description:	5-Acetyl-2-bromopyridine (CAS# 139042-59-4) is a useful research chemical.
Molecular Weight:	200.03
Molecular Formula:	C7H6BrNO
Canonical SMILES:	CC(=O)C1=CN=C(C=C1)Br
InChI:	InChI=1S/C7H6BrNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3
InChI Key:	MUKKGHQBUKOMTD-UHFFFAOYSA-N
Boiling Point:	304.7 °C at 760 mmHg
Purity:	98 %
Density:	1.534 g/cm³
MDL:	MFCD04974527
LogP:	2.04670

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Pyridines

[202288-73-1]C12H14Cl2N2O
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[1202402-53-6]C9H12BrNO
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[4926-28-7]C6H6BrN
2-Bromo-4-methylpyridine
[2122800-15-9]C16H19N2D
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[1198098-45-1]C11H12N2
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[76006-14-9]C6H4ClN3
3-Chloro-1H-pyrazolo[3,4-c]pyridine

GHS Hazard Statement:	H315 (89.36%): 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

Publication Number	Title	Priority Date
WO-2021133831-A1	Compositions for use for the inhibition of dihydroorotate dehydrogenase	20191226
CN-110746406-A	3, 4-diazafluorenone derivatives, method for synthesizing the same, and electronic device containing the 3, 4-diazafluorenone derivatives	20191119
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.96328
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6