chempirical

Diethyl 2,6-pyridinedicarboxylate

C11H13NO4CAS 15658-60-3223.23 g/mol

Open in Covalent MOL file
OOOON
Ester

Properties

Molecular formula
C11H13NO4
Molar mass
223.23 g/mol
Exact mass
223.0845 Da
Melting point
28 °C
Boiling point
143–145 °C (at 1 Torr)
logP
1.44Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
15658-60-3
SMILES
CCOC(=O)c1cccc(C(=O)OCC)n1
InChIKey
KTOBUCHVPBPHMK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO4/c1-3-15-10(13)8-6-5-7-9(12-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3

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Names and synonyms

8 names
  • 2,6-Pyridinedicarboxylic acid, 2,6-diethyl ester
  • 2,6-Pyridinedicarboxylic acid, diethyl ester
  • Diethyl dipicolinate
  • Dipicolinic acid diethyl ester
  • 2,6-Bis(ethoxycarbonyl)pyridine
  • NSC 78907
  • 2,6-Dicarbethoxypyridine
  • 2,6-Diethyl pyridine-2,6-dicarboxylate

Work with Diethyl 2,6-pyridinedicarboxylate

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-pyridinecarboxylate2524-52-967 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-359 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-158 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-858 % similar Diethyl phthalate84-66-258 % similar Diethyl terephthalate636-09-957 % similar Ethyl benzoate93-89-056 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-954 % similar

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

Same formula

Benzyloxycarbonyl-L-alanine1142-20-7 N-Benzyloxycarbonylglycine methyl ester1212-53-9 1,2-Dimethoxy-4-(2-nitro-1-propen-1-yl)benzene122-47-4 H-D-Asp(obzl)-oh13188-89-1 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1 N-Acetyl-dl-tyrosine2901-77-1

Elsewhere

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