Dimethyl 3,5-pyridinedicarboxylate

C9H9NO4CAS 4591-55-3195.17 g/mol

Open in Covalent MOL file
OONOO
Ester

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
Melting point
84–85 °C
logP
0.65Crippen estimate
Polar surface area
65.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4591-55-3
SMILES
COC(=O)c1cncc(C(=O)OC)c1
InChIKey
HDTNLHHNQYBOHJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-13-8(11)6-3-7(5-10-4-6)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

7 names
  • 3,5-Pyridinedicarboxylic acid, 3,5-dimethyl ester
  • 3,5-Pyridinedicarboxylic acid, dimethyl ester
  • 3,5-Bismethoxycarbonylpyridine
  • 3,5-Di(methoxycarbonyl)pyridine
  • NSC 403260
  • 3,5-Dimethyl pyridine-3,5-dicarboxylate
  • Dimethyl pyridine-3,5-dicarboxylate

Work with Dimethyl 3,5-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 5-bromopyridine-3-carboxylate29681-44-576 % similar Methyl 5-methylpyridine-3-carboxylate29681-45-676 % similar Methyl 5-hydroxypyridine-3-carboxylate30766-22-473 % similar Methyl pyrimidine-5-carboxylate34253-01-573 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-471 % similar Methyl nicotinate93-60-761 % similar Dimethyl isophthalate1459-93-461 % similar Methyl isonicotinate2459-09-859 % 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

PubChem CAS Common Chemistry NIST WebBook