chempirical

Ethyl 3-oxo-3-(pyridin-2-yl)propanoate

C10H11NO3CAS 26510-52-1193.20 g/mol

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Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
logP
1.22Crippen estimate
Polar surface area
56.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
26510-52-1
SMILES
CCOC(=O)CC(=O)C1=CC=CC=N1
InChIKey
FQHXWZMJALFSJJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3

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Names and synonyms

1 names
  • Ethyl picolinoylacetate

Work with Ethyl 3-oxo-3-(pyridin-2-yl)propanoate

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-pyridinecarboxylate2524-52-962 % similar Ethyl benzoylacetate94-02-062 % similar Ethyl 3-(4-pyridyl)-3-oxopropionate26377-17-359 % similar Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-756 % similar 3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester1479-24-955 % similar 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester13669-10-853 % similar Ethyl 3-phenoxypropionate22409-91-252 % similar N-2-Pyridinyl-β-alanine ethyl ester103041-38-952 % similar

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

Same formula

N-Benzoyl-dl-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 (3R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid152286-30-1 N-Acetyl-dl-phenylglycine15962-46-6 Actarit18699-02-0

Elsewhere

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