chempirical

Methyl 6-methylnicotinate

C8H9NO2CAS 5470-70-2151.16 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Melting point
32 °C
Boiling point
106–108 °C (at 18 Torr)
logP
1.18Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
5470-70-2
SMILES
COC(=O)c1ccc(C)nc1
InChIKey
VYPPZXZHYDSBSJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6-3-4-7(5-9-6)8(10)11-2/h3-5H,1-2H3

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Names and synonyms

9 names
  • 3-Pyridinecarboxylic acid, 6-methyl-, methyl ester
  • Nicotinic acid, 6-methyl-, methyl ester
  • Methyl 6-methyl-3-pyridinecarboxylate
  • 6-Methylnicotinic acid methyl ester
  • 3-(Methoxycarbonyl)-6-methylpyridine
  • 5-Methoxycarbonyl-2-methylpyridine
  • Methyl 6-methylaminonicotinate
  • 6-Methyl-3-pyridinecarboxylic acid methyl ester
  • NSC 27973

Work with Methyl 6-methylnicotinate

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-methoxynicotinate26218-80-463 % similar Methyl 6-formylpyridine-3-carboxylate10165-86-359 % similar Dimethyl terephthalate120-61-659 % similar Methyl 6-(bromomethyl)nicotinate131803-48-058 % similar 5-Methyl 2,5-pyridinedicarboxylate17874-79-258 % similar 1-(6-Methyl-3-pyridinyl)ethanone36357-38-756 % similar Methyl P-toluate99-75-255 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-553 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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