chempirical

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate

C10H11NO4CAS 112110-16-4209.20 g/mol

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Ester

Properties

Molecular formula
C10H11NO4
Molar mass
209.20 g/mol
Exact mass
209.0688 Da
logP
0.96Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
112110-16-4
SMILES
COC(=O)c1cc(C)cnc1C(=O)OC
InChIKey
MKOJTLPEGLTEFM-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3

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Names and synonyms

5 names
  • 2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester
  • 2,3-Pyridinedicarboxylic acid, 5-methyl-, dimethyl ester
  • Dimethyl 5-methylpyridine-2,3-dicarboxylate
  • 5-Methyl-2,3-pyridinedicarboxylic acid dimethyl ester
  • Dimethyl 3-methylpyridine-5,6-dicarboxylate

Work with 2,3-Dimethyl 5-methyl-2,3-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

2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-953 % similar Methyl 5-methylanthranilate18595-16-950 % similar Methyl 5-methylsalicylate22717-57-350 % similar Tetramethyl pyromellitate635-10-950 % similar Methyl 2-bromo-5-methylbenzoate90971-88-350 % similar 5-Methyl-2,3-pyridinedicarboxylic acid53636-65-049 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-547 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-047 % similar

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

Same formula

N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1 (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-5 Dimethyl 3-aminoterephthalate5372-81-6 Ethyl p-nitrophenylacetate5445-26-1 4-Nitrobenzenebutanoic acid5600-62-4

Elsewhere

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