Methyl picolinate

C7H7NO2CAS 2459-07-6137.14 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C7H7NO2
Molar mass
137.14 g/mol
Exact mass
137.0477 Da
Melting point
18.7 °C
Boiling point
112 °C (at 13 Torr)
logP
0.87Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
2459-07-6
SMILES
COC(=O)c1ccccn1
InChIKey
NMMIHXMBOZYNET-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3

Weigh it out

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Names and synonyms

7 names
  • 2-Pyridinecarboxylic acid, methyl ester
  • Picolinic acid, methyl ester
  • Methyl 2-pyridinecarboxylate
  • 2-Carbomethoxypyridine
  • 2-(Methoxycarbonyl)pyridine
  • NSC 1459
  • 2-Picolinic acid methyl ester

Work with Methyl picolinate

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

Dimethyl 2,6-pyridinedicarboxylate5453-67-863 % similar Ethyl 2-pyridinecarboxylate2524-52-962 % similar Pyrimidine-4-carboxylic acid methyl ester2450-08-061 % similar Methyl pyridazine-3-carboxylate34253-02-661 % similar Methyl 2-pyrimidinecarboxylate34253-03-758 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-558 % similar Methyl 2-pyrazinecarboxylate6164-79-058 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Anthranilic acid118-92-3 Benzodioxol-5-amine14268-66-7 4-Aminobenzoic acid150-13-0 3-Acetoxypyridine17747-43-2 5-Methoxypicolinaldehyde22187-96-8 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 6-Methylpyridine-3-carboxylic acid3222-47-7

Elsewhere

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