2-Bromopyridine-3-acetic Acid - CAS 1227578-15-5

Catalog:	BB005492
Product Name:	2-Bromopyridine-3-acetic Acid
CAS:	1227578-15-5
Synonyms:	2-(2-bromo-3-pyridinyl)acetic acid; 2-(2-bromopyridin-3-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2-bromopyridin-3-yl)acetic acid
Description:	2-Bromopyridine-3-acetic Acid (CAS# 1227578-15-5) is a useful research chemical.
Molecular Weight:	216.03
Molecular Formula:	C7H6BrNO2
Canonical SMILES:	C1=CC(=C(N=C1)Br)CC(=O)O
InChI:	InChI=1S/C7H6BrNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11)
InChI Key:	PIFJMOYWRSHXBF-UHFFFAOYSA-N
LogP:	1.47120

Publication Number	Title	Priority Date
EP-2938344-A1	Piperazine-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with a2a antagonist properties	20121228
EP-2938344-B1	Piperazine-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with a2a antagonist properties	20121228
US-2016194330-A1	Piperazine-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with a2a antagonist properties	20121228
WO-2014101113-A1	Piperazine-substituted 7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with a2a antagonist properties	20121228
WO-2014105664-A1	Piperazine-substituted [1,2,4]triazolo[1,5-c]quinazolin-5-amine compounds with a2a antagonist properties	20121228

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Related Functional Groups

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.95819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.95819
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3