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3-(2-Bromoethyl)pyridine Hydrobromide

3-(2-Bromoethyl)pyridine Hydrobromide - CAS 41039-91-2

Catalog:	BB024760
Product Name:	3-(2-Bromoethyl)pyridine Hydrobromide
CAS:	41039-91-2
Synonyms:	3-(2-bromoethyl)pyridine;hydrobromide; 3-(2-bromoethyl)pyridine;hydrobromide

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Computed Properties

IUPAC Name:	3-(2-bromoethyl)pyridine;hydrobromide
Description:	3-(2-Bromoethyl)pyridine Hydrobromide (CAS# 41039-91-2) is an intermediate in the preparation of niphatesines.
Molecular Weight:	266.96
Molecular Formula:	C7H9Br2N
Canonical SMILES:	C1=CC(=CN=C1)CCBr.Br
InChI:	InChI=1S/C7H8BrN.BrH/c8-4-3-7-2-1-5-9-6-7;/h1-2,5-6H,3-4H2;1H
InChI Key:	ITVQNNGZGWJKGD-UHFFFAOYSA-N
LogP:	2.97710

Publication Number	Title	Priority Date
TW-201601631-A	Heterocyclic substituted bicycloazole insecticide	20130913
TW-201402581-A	Pyrimidinone derivatives, their preparation and therapeutic use thereof	20120622
TW-I586670-B	Pyrimidinone derivatives, their preparation and therapeutic use thereof	20120622
AU-2012342471-A1	[1, 2, 3]triazolo [4, 5 -d] pyrimidine derivatives as agonists of the cannabinoid receptor 2 agonists	20111125
AU-2012342471-B2	[1, 2, 3]triazolo [4, 5 -d] pyrimidine derivatives as agonists of the cannabinoid receptor 2 agonists	20111125

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	75.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.90813
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	264.91017
Rotatable Bond Count:	2
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0