3-(6-Bromo-3-pyridyl)acrylic Acid - CAS 1035123-89-7

Catalog:	BB001163
Product Name:	3-(6-Bromo-3-pyridyl)acrylic Acid
CAS:	1035123-89-7
Synonyms:	(E)-3-(6-bromo-3-pyridinyl)-2-propenoic acid; (E)-3-(6-bromopyridin-3-yl)prop-2-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-(6-bromopyridin-3-yl)prop-2-enoic acid
Description:	3-(6-Bromo-3-pyridyl)acrylic Acid (CAS# 1035123-89-7 ) is a useful research chemical.
Molecular Weight:	228.04
Molecular Formula:	C8H6BrNO2
Canonical SMILES:	C1=CC(=NC=C1C=CC(=O)O)Br
InChI:	InChI=1S/C8H6BrNO2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H,11,12)/b4-2+
InChI Key:	MZIMKUQFGDVIID-DUXPYHPUSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.94190

Publication Number	Title	Priority Date
EP-2931734-B1	Novel glucokinase activator compounds, compositions containing such compounds, and methods of treatment	20121217
EP-2828243-B1	Estrogen receptor modulators and uses thereof	20120320
US-2015105403-A1	Estrogen receptor modulators and uses thereof	20120320
US-9499538-B2	Estrogen receptor modulators and uses thereof	20120320
EP-2768805-A1	(hetero)aryl cyclopropylamine compounds as lsd1 inhibitors	20111020

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Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	226.95819
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.95819
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8