2-Acetyl-6-bromopyridine - CAS 49669-13-8

Catalog:	BB026776
Product Name:	2-Acetyl-6-bromopyridine
CAS:	49669-13-8
Synonyms:	1-(6-bromopyridin-2-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(6-bromopyridin-2-yl)ethanone
Description:	2-Acetyl-6-bromopyridine (CAS# 49669-13-8) is used in the synthesis of some embedded chalcones and pyrazoles as angiotensin converting enzyme (ACE) inhibitors.
Molecular Weight:	200.03
Molecular Formula:	C7H6BrNO
Canonical SMILES:	CC(=O)C1=NC(=CC=C1)Br
InChI:	InChI=1S/C7H6BrNO/c1-5(10)6-3-2-4-7(8)9-6/h2-4H,1H3
InChI Key:	RUJTWTUYVOEEFW-UHFFFAOYSA-N
Boiling Point:	271.2 °C at 760 mmHg
Melting Point:	51-55 °C
Purity:	95 %
Density:	1.534 g/cm³
MDL:	MFCD00272200
LogP:	2.04670

Publication Number	Title	Priority Date
CN-111747995-A	Nitrogen-containing aryloxy cyclopentadienyl titanium compound and preparation method and application thereof	20200730
CN-112812105-A	Aminopyridyloxypyrazole derivative and preparation method and application thereof	20200324
WO-2021155320-A1	Compounds and uses thereof	20200129
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021091751-A1	Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors	20191105

PMID	Publication Date	Title	Journal
21754701	20110601	1-[6-(6-Acetyl-pyridin-2-yl)pyridin-2-yl]ethanone	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[4926-28-7]
2-Bromo-4-methylpyridine
[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine

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:	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:	1.9