chempirical

Methyl 4-pyridineacetate

C8H9NO2CAS 29800-89-3151.17 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C8H9NO2
Molar mass
151.17 g/mol
Exact mass
151.0633 Da
Boiling point
150 °C (at 0.2 Torr)
logP
0.80Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
29800-89-3
SMILES
COC(=O)Cc1ccncc1
InChIKey
ZOKQLMMQYVXILS-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-11-8(10)6-7-2-4-9-5-3-7/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • 4-Pyridineacetic acid, methyl ester
  • Methyl 4-pyridylacetate
  • Methyl 2-(pyridin-4-yl)acetate
  • Methyl 4-carboxymethylpyridine
  • Pyridin-4-ylacetic acid methyl ester

Work with Methyl 4-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 phenylacetate101-41-767 % similar Ethyl 4-pyridineacetate54401-85-364 % similar p-Tolylacetic acid methyl ester23786-13-263 % similar Methyl (4-hydroxyphenyl)acetate14199-15-661 % similar Methyl 4-methoxybenzeneacetate23786-14-361 % similar Methyl (4-bromophenyl)acetate41841-16-161 % similar Methyl 4-chlorobenzeneacetate52449-43-161 % similar Methyl P-tert-butylphenylacetate3549-23-357 % 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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