Dimethyl pyridine-2,5-dicarboxylate

C9H9NO4CAS 881-86-7195.17 g/mol

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Ester

Properties

Molecular formula
C9H9NO4
Molar mass
195.17 g/mol
Exact mass
195.0532 Da
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 43 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
881-86-7
SMILES
COC(=O)C1=CN=C(C=C1)C(=O)OC
InChIKey
TUGSJNQAIMFEDY-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO4/c1-13-8(11)6-3-4-7(10-5-6)9(12)14-2/h3-5H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • Dimethyl 2,5-pyridine dicarboxylate

Work with Dimethyl pyridine-2,5-dicarboxylate

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

5-(Methoxycarbonyl)pyridine-2-carboxylic acid17874-79-274 % similar Methyl 6-methylnicotinate5470-70-267 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-465 % similar 6-Fluoronicotinic acid methyl ester1427-06-165 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-065 % similar Methyl 6-methoxynicotinate26218-80-465 % similar Methyl 5-bromopyridine-2-carboxylate29682-15-365 % similar Methyl 5-hydroxypyridine-2-carboxylate30766-12-265 % 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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