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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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-methylpyridine-2-carboxylate59718-84-268 % similar Methyl 2-methylnicotinate65719-09-768 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-166 % similar Methyl 3-amino-2-pyridinecarboxylate36052-27-466 % similar Methyl 2-chloronicotinate40134-18-766 % similar 2-Fluoronicotinic acid methyl ester446-26-466 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-366 % similar Methyl 3-Hydroxy-2-pyridinecarboxylate62733-99-766 % 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 3-(3-Nitrophenyl)propionic acid1664-57-9 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5

Elsewhere

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