Methyl 2-pyridineacetate

C8H9NO2CAS 1658-42-0151.16 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Boiling point
120 °C (at 10 Torr)
logP
0.80Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 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
1658-42-0
SMILES
COC(=O)Cc1ccccn1
InChIKey
ORAKNQSHWMHCEY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-11-8(10)6-7-4-2-3-5-9-7/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Pyridineacetic acid, methyl ester
  • Methyl 2-(2-pyridyl)acetate
  • Methyl 2-pyridylacetate
  • Methyl 2-pyridinylacetate
  • NSC 72093
  • 2-[(Methoxycarbonyl)methyl]pyridine
  • 2-Pyridylacetic acid methyl ester
  • Pyridin-2-ylacetic acid methyl ester
  • Methyl 2-(pyridin-2-yl)acetate

Work with Methyl 2-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 2-pyridylacetate2739-98-267 % similar 3,3-Dimethyl-1-pyridin-2-ylbutan-2-one34552-04-058 % similar Methyl phenylacetate101-41-756 % similar Methyl 4-pyridineacetate29800-89-353 % similar Methyl 6-quinolineacetate5622-36-651 % similar Methyl 2-(2-bromophenyl)acetate57486-69-850 % similar 2-Pyridylacetic acid hydrochloride16179-97-849 % similar Methyl (2-hydroxyphenyl)acetate22446-37-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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