2-Ethylpyridine-3-boronic Acid Pinacol Ester - CAS 1494670-02-8

Catalog:	BB010409
Product Name:	2-Ethylpyridine-3-boronic Acid Pinacol Ester
CAS:	1494670-02-8
Synonyms:	2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Description:	2-Ethylpyridine-3-boronic Acid Pinacol Ester (CAS# 1494670-02-8 ) is a useful research chemical.
Molecular Weight:	233.11
Molecular Formula:	C13H20NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)CC
InChI:	InChI=1S/C13H20BNO2/c1-6-11-10(8-7-9-15-11)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3
InChI Key:	XYJDZEDMXUWYRC-UHFFFAOYSA-N

Publication Number	Title	Priority Date
NZ-728313-A	Phenyl tetrahydroisoquinoline compound substituted with heteroaryl	20140725
AU-2013265326-A1	Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors	20120521
AU-2013265326-B2	Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors	20120521
CA-2874203-A1	Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group ii metabotropic glutamate receptors	20120521
DK-2861597-T3	Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group ii metabotropic glutamate receptors	20120521

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Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.158709
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.158709
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0