chempirical

5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester

C13H17NO4CAS 105151-39-1251.28 g/mol

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Ester

Properties

Molecular formula
C13H17NO4
Molar mass
251.28 g/mol
Exact mass
251.1158 Da
logP
2.00Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
105151-39-1
SMILES
CCC1=CC(=C(N=C1)C(=O)OCC)C(=O)OCC
InChIKey
VSPXTWXXNZJEHM-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO4/c1-4-9-7-10(12(15)17-5-2)11(14-8-9)13(16)18-6-3/h7-8H,4-6H2,1-3H3

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Names and synonyms

1 names
  • Diethyl 5-ethylpyridine-2,3-dicarboxylate

Work with 5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester

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

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-551 % similar Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-047 % similar Diethyl 2,5-dihydroxyterephthalate5870-38-246 % similar Diethyl phthalate84-66-246 % similar Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-546 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-146 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-846 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-845 % similar

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

Same formula

Benzyloxycarbonyl-L-valine1149-26-4 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 N-[(Phenylmethoxy)carbonyl]norvaline21691-43-0 N-[(Phenylmethoxy)carbonyl]-L-norvaline21691-44-1 Alibendol26750-81-2 N-(Benzyloxycarbonyl)-dl-valine3588-63-4 N-Acetyl-L-tyrosine ethyl ester840-97-1

Elsewhere

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