2-Bromo-1-(2-pyridyl)ethanone - CAS 40086-66-6

Catalog:	BB024299
Product Name:	2-Bromo-1-(2-pyridyl)ethanone
CAS:	40086-66-6
Synonyms:	2-bromo-1-(2-pyridinyl)ethanone; 2-bromo-1-pyridin-2-ylethanone

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-1-pyridin-2-ylethanone
Description:	2-Bromo-1-(2-pyridyl)ethanone (CAS# 40086-66-6) is a useful research chemical compound.
Molecular Weight:	200.03
Molecular Formula:	C7H6BrNO
Canonical SMILES:	C1=CC=NC(=C1)C(=O)CBr
InChI:	InChI=1S/C7H6BrNO/c8-5-7(10)6-3-1-2-4-9-6/h1-4H,5H2
InChI Key:	DNPMOGQMEOPVNT-UHFFFAOYSA-N
Boiling Point:	249.1 °C at 760 mmHg
Density:	1.57 g/cm³
LogP:	1.65920

Publication Number	Title	Priority Date
US-2020392130-A1	SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS	20190614
WO-2020249791-A1	SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS	20190614
WO-2020123850-A1	Ferroportin inhibitors and methods of use	20181213
EP-3556755-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
EP-3556756-A1	Substituted propanamides as inhibitors of nucleases	20180417

PMID	Publication Date	Title	Journal
18640043	20080801	Muscarinic receptor 1 agonist activity of novel N-arylthioureas substituted 3-morpholino arecoline derivatives in Alzheimer's presenile dementia models	Bioorganic & medicinal chemistry
17258457	20070315	Probing binding requirements of NAD kinase with modified substrate (NAD) analogues	Bioorganic & medicinal chemistry letters
12372498	20021104	alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship	Bioorganic & medicinal chemistry letters

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Carbonyl Compounds

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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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Metribuzin-diketo

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Complexity:	127
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:	2
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6