3-Amino-2-bromopyridine - CAS 39856-58-1

Catalog:	BB024163
Product Name:	3-Amino-2-bromopyridine
CAS:	39856-58-1
Synonyms:	2-bromopyridin-3-amine

Technical Data

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Computed Properties

IUPAC Name:	2-bromopyridin-3-amine
Description:	3-Amino-2-bromopyridine (CAS# 39856-58-1) is a useful reagent in the one-pot synthesis of pyrrolo[3,2-b]pyridines/indoles via palladium-catalyzed alkynylation-heterocyclization of (amino)bromopyridines/bromoanilines with alkynes.
Molecular Weight:	173.01
Molecular Formula:	C5H5BrN2
Canonical SMILES:	C1=CC(=C(N=C1)Br)N
InChI:	InChI=1S/C5H5BrN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
InChI Key:	HKDVVTLISGIPFE-UHFFFAOYSA-N
Boiling Point:	292.5 °C at 760 mmHg
Purity:	98 %
Density:	1.71 g/cm³
MDL:	MFCD00234064
LogP:	2.00750

Publication Number	Title	Priority Date
CN-111548431-A	Marine organism polysaccharide grafted pyridine organic micromolecule multicolor adjustable aggregation-induced emission material and preparation method thereof	20200602
EP-3901152-A1	Kv3 enhancers for the treatment of cognitive disorders	20200423
WO-2021207610-A1	Cold protease treatment method for preparing biological samples	20200410
CN-111320575-A	Pyridine-2-aryl-3-sulfonamide compound and synthesis method and application thereof	20200408
US-2021190770-A1	Compositions and methods for using fixed biological samples in partition-based assays	20191223

PMID	Publication Date	Title	Journal
22381792	20120601	Molecular structure and vibrational spectra of 3-and 4-amino-2-bromopyridine by density functional methods	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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Related Functional Groups

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Pyridines

[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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2-(Chloromethyl)-3-fluoropyridine Hydrochloride
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2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
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3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

GHS Hazard Statement:	H301 (87.23%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.96361
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2