3-Bromopyridine - CAS 626-55-1

Name: 3-Bromopyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031717
Product Name:	3-Bromopyridine
CAS:	626-55-1
Synonyms:	3-bromopyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromopyridine
Description:	Pyridine as novel substrate for regioselective oxygenation with aromatic peroxygenase from Agrocybe aegerita.
Molecular Weight:	158.00
Molecular Formula:	C5H4BrN
Canonical SMILES:	C1=CC(=CN=C1)Br
InChI:	InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
InChI Key:	NYPYPOZNGOXYSU-UHFFFAOYSA-N
Boiling Point:	173 °C
Flash Point:	51 °C
Purity:	95 %
Density:	1.64 g/cm³
Appearance:	Liquid
MDL:	MFCD00006373
LogP:	1.84410
Vapor Pressure:	1.75 [mmHg]

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Related Functional Groups

Pyridines

[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]C9H12BrNO
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[1122-43-6]C7H9NO
3-Hydroxy-2,6-dimethylpyridine
[1222533-88-1]C18H25F3N2O2Si
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H226 (93.1%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016221972-A1	3-alkyl bicyclic [4,5,0] hydroxamic acids as hdac inhibitors	20150202
US-2016075692-A1	Indazole Ureas and Method of Use	20140916
US-2016052908-A1	Process for the preparation of 3-(3-chloro-1h-pyrazol-1-yl)pyridine	20140819
US-9024031-B1	Process for the preparation of 3-(3-chloro-1H-pyrazol-1-yl)pyridine	20140819
US-9115115-B1	Process for the preparation of 3-(3-chloro-1H-pyrazol-1-yl)pyridine	20140819

PMID	Publication Date	Title	Journal
22452599	20120416	Influence of second coordination sphere hydroxyl groups on the reactivity of copper(I) complexes	Inorganic chemistry
22346795	20120201	Poly[(μ(4)-5-bromo-pyridine-3-sulfonato)-silver(I)]	Acta crystallographica. Section E, Structure reports online
22563402	20120101	IspE inhibitors identified by a combination of in silico and in vitro high-throughput screening	PloS one
23124569	20120101	A simple procedure for preparation of N-thiazol, thiadiazol, pyridyl and sulfanylamidocantharidinimines analogues and evaluation of their cytotoxicities against human HL-60, MCF7, Neuro-2a and A549 carcinoma cell	Chemical & pharmaceutical bulletin
21739971	20110819	General and modular synthesis of isomeric 5-substituted pyridin-2-yl and 6-substituted pyridin-3-yl C-ribonucleosides bearing diverse alkyl, aryl, hetaryl, amino, carbamoyl, and hydroxy groups	The Journal of organic chemistry

Complexity:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.95271
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.95271
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6