5-Chloro-2-ethynylpyridine - CAS 1196153-33-9

Catalog:	BB004545
Product Name:	5-Chloro-2-ethynylpyridine
CAS:	1196153-33-9
Synonyms:	5-chloro-2-ethynylpyridine; 5-chloro-2-ethynylpyridine

Technical Data

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Computed Properties

IUPAC Name:	5-chloro-2-ethynylpyridine
Description:	5-Chloro-2-ethynylpyridine (CAS# 1196153-33-9) is a compound useful in organic synthesis.
Molecular Weight:	137.57
Molecular Formula:	C7H4ClN
Canonical SMILES:	C#CC1=NC=C(C=C1)Cl
InChI:	InChI=1S/C7H4ClN/c1-2-7-4-3-6(8)5-9-7/h1,3-5H
InChI Key:	MDWHTKFYMVXXFX-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.71630

Publication Number	Title	Priority Date
WO-2021154796-A1	Glp-1r modulating compounds	20200129
JP-2021091683-A	2-((4-((S) -2- (5-chloropyridin-2-yl) -2-methylbenzo [d] [1,3] dioxol-4-yl) piperidine-1-yl) methyl)- Solid of 1,3-dihydroxy-2- (hydroxymethyl) propan-2-amine salt of 1-(((S) -oxetane-2-yl) methyl) -1H-benzo [d] imidazol-6-carboxylic acid form	20191210
WO-2021116874-A1	Solid forms of 2-((4-((s)-2-(5-chloropyridin-2-yl)-2-methylbenzo[d] [1,3]dioxol-4-yl)piperidin-1-yl)methyl)-1-(((s)-oxetan-2-yl)methyl)-1h-benzo[d] imidazole-6-carboxylic acid, 1,3-dihydroxy-2-(hydroxymethyl)propan-2-amine salt	20191210
JP-2020200308-A	Combinations for the treatment of NASH / NAFLD and related diseases	20190520
WO-2020234726-A1	Combinations comprising benzodioxol as glp-1r agonists for use in the treatment of nash/nafld and related diseases	20190520

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.0032268
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.0032268
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8