chempirical

2,3-Dimethyl 2,3-pyridinedicarboxylate

C9H9NO4CAS 605-38-9195.17 g/mol

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Ester

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
52–53.5 °C
logP
0.65Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
605-38-9
SMILES
COC(=O)c1cccnc1C(=O)OC
InChIKey
YLGIBCYHQZTFQL-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3

Weigh it out

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Names and synonyms

8 names
  • 2,3-Pyridinedicarboxylic acid, 2,3-dimethyl ester
  • 2,3-Pyridinedicarboxylic acid, dimethyl ester
  • Dimethyl quinolinate
  • Dimethyl 2,3-pyridinedicarboxylate
  • 2,3-Bis(methoxycarbonyl)pyridine
  • Quinolinic acid dimethyl ester
  • NSC 17026
  • 2,3-Dimethyl pyridine-2,3-dicarboxylate

Work with 2,3-Dimethyl 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

Methyl 3-amino-2-pyridinecarboxylate36052-27-466 % similar Methyl 2-chloronicotinate40134-18-766 % similar Furo[3,4-B]pyridine-5,7-dione699-98-966 % similar Dimethyl phthalate131-11-360 % similar Methyl 2-pyrimidinecarboxylate34253-03-755 % similar Methyl picolinate2459-07-654 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-653 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-453 % similar

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

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6

Elsewhere

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