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

C₁₀H₁₁NO₃CAS 26510-52-1193.20 g/mol

Open in Covalent MOL file

Ester Ketone

Properties

Molecular formula: C₁₀H₁₁NO₃
Molar mass: 193.20 g/mol
Exact mass: 193.0739 Da
logP: 1.22Crippen estimate
Polar surface area: 56.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed60% of notifiers
H312 Harmful in contact with skin40% of notifiers
H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation60% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

1,3-Di(2-pyridyl)-1,3-propanedione10198-89-763 % similar Ethyl 2-pyridinecarboxylate2524-52-962 % similar Ethyl benzoylacetate94-02-062 % similar Ethyl 3-(4-pyridyl)-3-oxopropionate26377-17-359 % similar Ethyl 2-pyridylacetate2739-98-259 % similar Ethyl 3-oxo-3-(pyridin-3-yl)propanoate6283-81-457 % similar Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-756 % similar 3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester1479-24-955 % 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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