Dimethyl 2,6-pyridinedicarboxylate

C9H9NO4CAS 5453-67-8195.17 g/mol

Open in Covalent MOL file
OOOON
Ester

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
122–124 °C
Boiling point
100 °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 44 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
5453-67-8
SMILES
COC(=O)c1cccc(C(=O)OC)n1
InChIKey
SNQQJEJPJMXYTR-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-7(10-6)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

9 names
  • 2,6-Pyridinedicarboxylic acid, 2,6-dimethyl ester
  • 2,6-Pyridinedicarboxylic acid, dimethyl ester
  • 2,6-Dipicolinic acid dimethyl ester
  • Dipicolinic acid dimethyl ester
  • 2,6-Bismethoxycarbonylpyridine
  • 2,6-Dicarbomethoxypyridine
  • NSC 18855
  • 2,6-Dimethyl pyridine-2,6-dicarboxylate
  • Dimethyl pyridine-2,6-carboxylate

Work with Dimethyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-581 % similar 6-(Methoxycarbonyl)pyridine-2-carboxylic acid7170-36-777 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-476 % similar Methyl 6-chloropicolinate6636-55-176 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-773 % similar Methyl 6-methoxypyridine-2-carboxylate26256-72-473 % similar 6-Aminopicolinic acid methyl ester36052-26-373 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-073 % 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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