2-Acetyl-5-bromopyridine - CAS 214701-49-2

Catalog:	BB016893
Product Name:	2-Acetyl-5-bromopyridine
CAS:	214701-49-2
Synonyms:	1-(5-bromo-2-pyridinyl)ethanone; 1-(5-bromopyridin-2-yl)ethanone

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-(5-bromopyridin-2-yl)ethanone
Description:	2-Acetyl-5-bromopyridine (CAS# 214701-49-2) is a reagent used to synthesize substituted pyridin-3-yl)phenyloxazolidinones as antibacterial agents with reduced activity against monoamine oxidase A.
Molecular Weight:	200.03
Molecular Formula:	C7H6BrNO
Canonical SMILES:	CC(=O)C1=NC=C(C=C1)Br
InChI:	InChI=1S/C7H6BrNO/c1-5(10)7-3-2-6(8)4-9-7/h2-4H,1H3
InChI Key:	IDZRAUUUHXQGKC-UHFFFAOYSA-N
Boiling Point:	257.2 °C at 760 mmHg
Density:	1.534 g/cm³
MDL:	MFCD04974523
LogP:	2.04670

Publication Number	Title	Priority Date
WO-2021133831-A1	Compositions for use for the inhibition of dihydroorotate dehydrogenase	20191226
WO-2021134045-A1	Methods and compositions for inhibition of dihydroorotate dehydrogenase in combination with an anti-cd38 therapeutic agent	20191226
CN-110885346-A	Chiral binuclear cationic platinum complex and preparation method thereof	20191209
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021045460-A1	Heterocyclic compound and organic light emitting device comprising same	20190906

PMID	Publication Date	Title	Journal
21706084	20110807	Facile synthesis and platinum complexes of 4',5,5''-trisubstituted-2,2':6',2''-terpyridines	Dalton transactions (Cambridge, England : 2003)

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	1.6