4-Pyridylacetic acid hydrochloride - CAS 6622-91-9

Catalog:	BB032940
Product Name:	4-Pyridylacetic acid hydrochloride
CAS:	6622-91-9
Synonyms:	2-pyridin-4-ylacetic acid;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-pyridin-4-ylacetic acid;hydrochloride
Description:	4-Pyridylacetic acid hydrochloride (CAS# 6622-91-9) is used in the preparation of a highly tumor-selective organometallic ruthenium(II)-Arene complex.
Molecular Weight:	173.60
Molecular Formula:	C7H7NO2 · HCl
Canonical SMILES:	C1=CN=CC=C1CC(=O)O.Cl
InChI:	InChI=1S/C7H7NO2.ClH/c9-7(10)5-6-1-3-8-4-2-6;/h1-4H,5H2,(H,9,10);1H
InChI Key:	WKJRYVOTVRPAFN-UHFFFAOYSA-N
Boiling Point:	303.8 ℃ at 760 mmHg
Melting Point:	139-141 ℃
Purity:	99 %
Appearance:	Almost white to orange powder
MDL:	MFCD00012827
LogP:	1.51070

Publication Number	Title	Priority Date
CN-112390782-A	Compound for specifically enhancing spatial coupling degree of TRPV4-KCa2.3 complex and application thereof	20201109
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WO-2020161257-A1	3-amino-2-[2-(acylamino)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one as csnk1 inhibitors	20190207

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Pyridines

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[4926-28-7]
2-Bromo-4-methylpyridine
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid
[1222533-88-1]
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic 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

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.0243562
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0