2,5-Pyridinedicarboxylic acid diethyl ester

C₁₁H₁₃NO₄CAS 5552-44-3223.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃NO₄
Molar mass: 223.23 g/mol
Exact mass: 223.0845 Da
logP: 1.44Crippen estimate
Polar surface area: 65.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5552-44-3

SMILES

CCOC(=O)C1=CN=C(C=C1)C(=O)OCC

InChIKey

AFWWHZBUQWEDLS-UHFFFAOYSA-N

InChI

InChI=1S/C11H13NO4/c1-3-15-10(13)8-5-6-9(12-7-8)11(14)16-4-2/h5-7H,3-4H2,1-2H3

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Names and synonyms

1 names

Diethyl 2,5-pyridinedicarboxylate

Work with 2,5-Pyridinedicarboxylic 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

5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-574 % similar Dipropyl isocinchomeronate136-45-872 % similar Ethyl 6-methylnicotinate21684-59-369 % similar Ethyl 6-aminonicotinate39658-41-868 % similar Ethyl 6-chloronicotinate49608-01-768 % similar Ethyl 5-bromopicolinate77199-09-868 % similar Diethyl terephthalate636-09-965 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-063 % 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 Diethyl 2,6-pyridinedicarboxylate15658-60-3 4-(Phenylmethyl) hydrogen L-aspartate2177-63-1 Bendiocarb22781-23-3 N-(Benzyloxycarbonyl)-β-alanine2304-94-1

Elsewhere

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