(6-chloro-pyridin-3-yl)-acetic acid - CAS 39891-13-9

Name: (6-chloro-pyridin-3-yl)-acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024183
Product Name:	(6-chloro-pyridin-3-yl)-acetic acid
CAS:	39891-13-9
Synonyms:	2-(6-chloro-3-pyridinyl)acetic acid; 2-(6-chloropyridin-3-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(6-chloropyridin-3-yl)acetic acid
Description:	(6-chloro-pyridin-3-yl)-acetic acid (CAS# 39891-13-9) is a useful research chemical.
Molecular Weight:	171.58
Molecular Formula:	C7H6ClNO2
Canonical SMILES:	C1=CC(=NC=C1CC(=O)O)Cl
InChI:	InChI=1S/C7H6ClNO2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H,10,11)
InChI Key:	XWVPSJPQWOVRHJ-UHFFFAOYSA-N
Boiling Point:	336.613 °C at 760 mmHg
Melting Point:	164-169 °C
Purity:	95 %
Density:	1.406 g/cm³
MDL:	MFCD01863172
LogP:	1.36210

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
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-2021097240-A1	Compounds and uses thereof	20191113
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913

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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3