chempirical

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

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

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

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 Methyl 2-pyrimidinecarboxylate34253-03-758 % similar Methyl 2-pyrazinecarboxylate6164-79-058 % similar Methyl 3-isoquinolinecarboxylate27104-73-056 % similar Methyl 4-methoxypicolinate29681-43-456 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-454 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-954 % 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 Methyl isonicotinate2459-09-8 4-Pyridineacetic acid28356-58-3 5-Methylnicotinic acid3222-49-9 4-Methylnicotinic acid3222-50-2

Elsewhere

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