chempirical

Methyl 6-methoxynicotinate

C8H9NO3CAS 26218-80-4167.16 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
48–49 °C
Boiling point
93 °C (at 3 Torr)
logP
0.88Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
26218-80-4
SMILES
COC(=O)c1ccc(OC)nc1
InChIKey
OVLDWZNVBDRZNN-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3

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Names and synonyms

5 names
  • 3-Pyridinecarboxylic acid, 6-methoxy-, methyl ester
  • Nicotinic acid, 6-methoxy-, methyl ester
  • 6-Methoxynicotinic acid methyl ester
  • Methyl 6-methoxypyridine-3-carboxylate
  • Methyl 2-methoxypyridine-5-carboxylate

Work with Methyl 6-methoxynicotinate

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 6-methylnicotinate5470-70-263 % similar 6-Methoxynicotinic acid66572-55-261 % similar Methyl 6-formylpyridine-3-carboxylate10165-86-358 % similar Dimethyl terephthalate120-61-657 % similar Methyl 6-(bromomethyl)nicotinate131803-48-056 % similar 5-Methyl 2,5-pyridinedicarboxylate17874-79-256 % similar Methyl anisate121-98-256 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-552 % 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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