3-(Bromoacetyl)pyridine hydrobromide - CAS 17694-68-7

Name: 3-(Bromoacetyl)pyridine hydrobromide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013259
Product Name:	3-(Bromoacetyl)pyridine hydrobromide
CAS:	17694-68-7
Synonyms:	2-bromo-1-pyridin-3-ylethanone;hydrobromide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-1-pyridin-3-ylethanone;hydrobromide
Description:	A useful synthetic intermediate.
Molecular Weight:	280.94
Molecular Formula:	C7H7Br2NO
Canonical SMILES:	C1=CC(=CN=C1)C(=O)CBr.Br
InChI:	InChI=1S/C7H6BrNO.BrH/c8-4-7(10)6-2-1-3-9-5-6;/h1-3,5H,4H2;1H
InChI Key:	WDTSYONULAZKIE-UHFFFAOYSA-N
Boiling Point:	275.9 °C at 760 mmHg
Melting Point:	192 °C
Purity:	95 %
Appearance:	White crystalline solid
MDL:	MFCD00052182
LogP:	2.61730

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Pyridines

[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[14993-80-7]C8H8N2
2-(6-Methylpyridin-2-yl)acetonitrile
[76167-49-2]C11H10N2O
2-(Pyridin-3-yloxy)aniline
[871507-15-2]C23H18N2O2
2-(Pyridin-4-yl)-1-(4-(quinolin-2-ylmethoxy)phenyl)ethan-1-one
[942206-23-7]C5H2Cl2IN
2,5-Dichloro-3-iodopyridine
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine

GHS Hazard Statement:	H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
WO-2021116178-A1	Pyrazolotriazines	20191211
WO-2021055612-A1	Substituted imidazole carboxamides and their use in the treatment of medical disorders	20190917
KR-20210021830-A	Novel compound with cancer metastasis inhibiting activity, method for preparing the same and pharmaceutical composition for inhibiting cancer metastasis and invasion or treating colon cancer	20190819

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.88739
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	278.88944
Rotatable Bond Count:	2
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0