5-Methyl-2-(phenylethynyl)pyridine - CAS 124300-38-5

Catalog:	BB005870
Product Name:	5-Methyl-2-(phenylethynyl)pyridine
CAS:	124300-38-5
Synonyms:	5-methyl-2-(2-phenylethynyl)pyridine; 5-methyl-2-(2-phenylethynyl)pyridine

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Computed Properties

IUPAC Name:	5-methyl-2-(2-phenylethynyl)pyridine
Description:	5-Methyl-2-(phenylethynyl)pyridine (CAS# 124300-38-5) is a useful research chemical.
Molecular Weight:	193.24
Molecular Formula:	C14H11N
Canonical SMILES:	CC1=CN=C(C=C1)C#CC2=CC=CC=C2
InChI:	InChI=1S/C14H11N/c1-12-7-9-14(15-11-12)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3
InChI Key:	HESJPHOOGDBABM-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	2.78980

Publication Number	Title	Priority Date
US-2020223880-A1	Cobalt complexes, process for preparation and use thereof	20170606
US-11040994-B2	Cobalt complexes, process for preparation and use thereof	20170606
US-10449216-B2	Modulating drug effects against metabotropic glutamate receptor with extracellular calcium	20130913
US-2016220603-A1	Modulating drug effects against metabotropic glutamate receptor with extracellular calcium	20130913
WO-2015039003-A1	Modulating drug effects against metabotropic glutamate receptor with extracellular calcium	20130913

PMID	Publication Date	Title	Journal
18056795	20080301	N-{4-Chloro-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-hydroxybenzamide (CPPHA) acts through a novel site as a positive allosteric modulator of group 1 metabotropic glutamate receptors	Molecular pharmacology
17569516	20070712	Synthesis and pharmacological evaluation of phenylethynyl[1,2,4]methyltriazines as analogues of 3-methyl-6-(phenylethynyl)pyridine	Journal of medicinal chemistry
16155210	20051201	A close structural analog of 2-methyl-6-(phenylethynyl)-pyridine acts as a neutral allosteric site ligand on metabotropic glutamate receptor subtype 5 and blocks the effects of multiple allosteric modulators	Molecular pharmacology

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Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.089149355
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.089149355
Rotatable Bond Count:	2
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3