2-Chloropyridine-4-acetic acid - CAS 887580-55-4

Name: 2-Chloropyridine-4-acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039182
Product Name:	2-Chloropyridine-4-acetic acid
CAS:	887580-55-4
Synonyms:	2-(2-chloropyridin-4-yl)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(2-chloropyridin-4-yl)acetic acid
Description:	2-Chloropyridine-4-acetic acid (CAS# 887580-55-4) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	C1=CN=C(C=C1CC(=O)O)Cl
InChI:	InChI=1S/C7H6ClNO2/c8-6-3-5(1-2-9-6)4-7(10)11/h1-3H,4H2,(H,10,11)
InChI Key:	TWVCSTSAZFQBPJ-UHFFFAOYSA-N
Boiling Point:	338.8 °C at 760 mmHg
Purity:	95 %
Density:	1.405 g/cm³
LogP:	1.36210

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
KR-20210081286-A	Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133035-A1	Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof	20191223
WO-2020207991-A1	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
TW-202104230-A	Hexahydro-1h-pyrazino[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20190409
WO-2016097339-A1	Labelled coumarin derivatives	20141219

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.0087061
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.0087061
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3