chempirical

Methyl 4-methoxypicolinate

C8H9NO3CAS 29681-43-4167.16 g/mol

Open in Covalent MOL file
OOON
EsterEther

Properties

Molecular formula
C8H9NO3
Molar mass
167.16 g/mol
Exact mass
167.0582 Da
Melting point
47–49 °C
logP
0.88Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
29681-43-4
SMILES
COC(=O)c1cc(OC)ccn1
InChIKey
OJDKENGKKYVJLY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-11-6-3-4-9-7(5-6)8(10)12-2/h3-5H,1-2H3

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Names and synonyms

6 names
  • 2-Pyridinecarboxylic acid, 4-methoxy-, methyl ester
  • Picolinic acid, 4-methoxy-, methyl ester
  • Methyl 4-methoxypyridine-2-carboxylate
  • Methyl 4-(methyloxy)-2-pyridinecarboxylate
  • 4-Methoxypyridine-2-carboxylic acid methyl ester
  • Methyl 4-methoxy-2-picolinate

Work with Methyl 4-methoxypicolinate

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 picolinate2459-07-656 % similar Methyl 3,5-dimethoxybenzoate2150-37-054 % similar Methyl m-methoxybenzoate5368-81-053 % similar Methyl 2-pyrazinecarboxylate6164-79-051 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-551 % similar Methyl 2,4-dimethoxybenzoate2150-41-651 % similar Methyl anisate121-98-250 % similar Methyl 3-isoquinolinecarboxylate27104-73-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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