(E)-3-(6-Amino-3-pyridyl)acrylic Acid - CAS 167837-43-6

Catalog:	BB012424
Product Name:	(E)-3-(6-Amino-3-pyridyl)acrylic Acid
CAS:	167837-43-6
Synonyms:	(E)-3-(6-amino-3-pyridinyl)-2-propenoic acid; (E)-3-(6-aminopyridin-3-yl)prop-2-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-(6-aminopyridin-3-yl)prop-2-enoic acid
Description:	(E)-3-(6-Amino-3-pyridyl)acrylic Acid (CAS# 167837-43-6) is a useful research chemical.
Molecular Weight:	164.16
Molecular Formula:	C8H8N2O2
Canonical SMILES:	C1=CC(=NC=C1C=CC(=O)O)N
InChI:	InChI=1S/C8H8N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-2+
InChI Key:	RKTFOZFRTWRSLT-DUXPYHPUSA-N
Boiling Point:	394.89 °C at 760 mmHg
Density:	1.361 g/cm³
LogP:	1.34280

Publication Number	Title	Priority Date
US-2019002448-A1	Substituted benzofuranyl and benzoxazolyl compounds and uses thereof	20151231
CA-2995380-A1	(s,e)-3-(6-aminopyridin-3-yl)-n-((5-(4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)phenyl)-7-(4-fluorophenyl)benzofuran-2-yl)methyl)acrylamide for the treatment of cancer	20150818
JP-2018528196-A	(S, E) -3- (6-Aminopyridin-3-yl) -N-((5- (4- (3-Fluoro-3-methylpyrrolidine-1-carbonyl) phenyl) for the treatment of cancer -7- (4-Fluorophenyl) benzofuran-2-yl) methyl) acrylamide	20150818
US-10363247-B2	(S,E)-3-(6-aminopyridin-3-yl)-N-((5-(4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)phenyl-7-(4-fluorophenyl)benzofuran-2-yl)methyl)acrylamide for the treatment of cancer	20150818
US-2018235948-A1	(s,e)-3-(6-aminopyridin-3-yl)-n-((5-(4-(3-fluoro-3-methylpyrrolidine-1-carbonyl)phenyl)-7-(4-fluorophenyl)benzofuran-2-yl)methyl)acrylamide for the treatment of cancer	20150818

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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	164.058577502
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	164.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5