Ethyl 2-pyridylacetate - CAS 2739-98-2

Catalog:	BB019561
Product Name:	Ethyl 2-pyridylacetate
CAS:	2739-98-2
Synonyms:	ethyl 2-pyridin-2-ylacetate

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Computed Properties

IUPAC Name:	ethyl 2-pyridin-2-ylacetate
Description:	Ethyl 2-pyridylacetate (CAS# 2739-98-2) is a useful research chemical.
Molecular Weight:	165.19
Molecular Formula:	C9H11NO2
Canonical SMILES:	CCOC(=O)CC1=CC=CC=N1
InChI:	InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChI Key:	IUDKTVXSXWAKJO-UHFFFAOYSA-N
Boiling Point:	92 °C (3 mmHg)
Purity:	95 %
Density:	1.084 g/cm³
Appearance:	Yellow liquid
MDL:	MFCD00006359
LogP:	1.18720

Publication Number	Title	Priority Date
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
JP-2021130079-A	Liquid fixed quantity discharge device	20200218
CN-111116576-A	Quinolizinone compound and preparation method thereof	20191201
CN-112174949-A	Quinolizinone compound and preparation method thereof	20191201
CN-110922402-A	C-3 iodo-indolizine compound and preparation method thereof	20191121

PMID	Publication Date	Title	Journal
18259139	20080128	Reaction of nitrilimines with 2-substituted aza-heterocycles. Synthesis of pyrrolo[1,2-a]pyridine and pyrimido[2,1-d]1,2,3,5- tetrazine	Molecules (Basel, Switzerland)
11327910	20010507	Template synthesis of a tetraazamacrocyclic ligand with two pendant pyridinyl groups: properties of the isomers of the metal-free ligand and of their first-row transition metal compounds	Inorganic chemistry

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Pyridines

[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[4926-28-7]
2-Bromo-4-methylpyridine
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride

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:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.078978594
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.078978594
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7