Ethyl 2-pyridylacetate

C₉H₁₁NO₂CAS 2739-98-2165.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
Melting point: 136–137 °C
Boiling point: 134–135 °C (at 21 Torr)
logP: 1.19Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2739-98-2

SMILES

CCOC(=O)Cc1ccccn1

InChIKey

IUDKTVXSXWAKJO-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

2-Pyridineacetic acid, ethyl ester
Ethyl 2-(α-pyridyl)acetate
Ethyl 2-pyridineacetate
Ethyl 2-(2-pyridyl)acetate
Ethyl 2-pyridinylacetate
2-(2-Pyridyl)acetic acid ethyl ester
NSC 82347
Ethyl 2-(pyridin-2-yl)acetate
(2-Pyridinyl)acetic acid ethyl ester
2-Pyridylacetic acid ethyl ester

Reactions

ETHYL 2-PYRIDYLACETATE (2-Pyridineacetic acid, ethyl ester)product

Work with Ethyl 2-pyridylacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-pyridineacetate1658-42-067 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-159 % similar Ethyl phenylacetate101-97-358 % similar N-2-Pyridinyl-β-alanine ethyl ester103041-38-956 % similar Ethyl 4-pyridineacetate54401-85-355 % similar Ethyl 2-pyridinecarboxylate2524-52-954 % similar Ethyl 3-pyridineacetate39931-77-654 % similar o-Tolylacetic acid ethyl ester40291-39-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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