chempirical

Ethyl 2-methyl-3-pyridinecarboxylate

C9H11NO2CAS 1721-26-2165.19 g/mol

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OON
Ester

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
146–147 °C
Boiling point
126–127 °C (at 24 Torr)
logP
1.57Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
1721-26-2
SMILES
CCOC(=O)c1cccnc1C
InChIKey
TZORNSWZUZDUCU-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-6-10-7(8)2/h4-6H,3H2,1-2H3

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Names and synonyms

6 names
  • 3-Pyridinecarboxylic acid, 2-methyl-, ethyl ester
  • Nicotinic acid, 2-methyl-, ethyl ester
  • Ethyl 2-methylnicotinate
  • 2-Methylnicotinic acid ethyl ester
  • NSC 521051
  • 2-Methylpyridine-3-carboxylic acid ethyl ester

Work with Ethyl 2-methyl-3-pyridinecarboxylate

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

Diethyl phthalate84-66-262 % similar Ethyl 2-methylbenzoate87-24-158 % similar Ethyl 2-pyridinecarboxylate2524-52-956 % similar Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-056 % similar Ethyl 2-bromobenzoate6091-64-154 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-454 % similar Ethyl salicylate118-61-653 % similar Ethyl 2-iodobenzoate1829-28-353 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4

Elsewhere

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