Ethyl 3-pyridineacetate

C9H11NO2CAS 39931-77-6165.19 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Boiling point
124 °C (at 12 Torr)
logP
1.19Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 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
39931-77-6
SMILES
CCOC(=O)Cc1cccnc1
InChIKey
RPWXYCRIAGBAGY-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 3-Pyridineacetic acid, ethyl ester
  • Ethyl 3-pyridylacetate
  • Ethyl 3-pyridinylacetate
  • NSC 76091
  • 2-(Pyridin-3-yl)acetic acid ethyl ester
  • Pyridin-3-ylacetic acid ethyl ester
  • Ethyl 2-(pyridin-3-yl)acetate
  • (3-Pyridyl)acetic acid ethyl ester

Work with Ethyl 3-pyridineacetate

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

Ethyl 4-pyridineacetate54401-85-367 % similar Ethyl phenylacetate101-97-366 % similar Ethyl 3-oxo-3-(pyridin-3-yl)propanoate6283-81-460 % similar Ethyl 2-(quinolin-6-yl)acetate5622-38-856 % similar Ethyl nicotinate614-18-655 % similar Ethyl p-tolylacetate14062-19-254 % similar Ethyl 2-pyridylacetate2739-98-254 % similar Ethyl 3-methoxybenzeneacetate35553-92-553 % 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

PubChem CAS Common Chemistry NIST WebBook