chempirical

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

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

Methyl phenylacetate101-41-756 % similar Methyl 4-pyridineacetate29800-89-353 % similar 2-Pyridylacetic acid hydrochloride16179-97-849 % similar Methyl (2-hydroxyphenyl)acetate22446-37-349 % similar Methyl 2-methoxybenzeneacetate27798-60-349 % similar Methyl 2-chlorobenzeneacetate57486-68-749 % similar Methyl picolinate2459-07-649 % similar 2-(Methoxymethyl)pyridine23579-92-249 % 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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