chempirical

Ethyl 6-methylnicotinate

C9H11NO2CAS 21684-59-3165.19 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
logP
1.57Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
21684-59-3
SMILES
CCOC(=O)C1=CN=C(C=C1)C
InChIKey
FEWVINDUUUHRKM-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-3-12-9(11)8-5-4-7(2)10-6-8/h4-6H,3H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • Ethyl 6-methylpyridine-3-carboxylate

Work with Ethyl 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

5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-571 % similar Ethyl 6-aminonicotinate39658-41-866 % similar Ethyl 6-chloronicotinate49608-01-766 % similar Methyl 6-methylnicotinate5470-70-264 % similar Diethyl terephthalate636-09-963 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-061 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-459 % similar Ethyl 4-methylbenzoate94-08-658 % 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 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook