chempirical

Ethyl 2,4-dichloro-5-pyrimidinecarboxylate

C7H6Cl2N2O2CAS 51940-64-8221.04 g/mol

Open in Covalent MOL file
OONClNCl
Aryl halideEster

Properties

Molecular formula
C7H6Cl2N2O2
Molar mass
221.04 g/mol
Exact mass
219.9806 Da
Melting point
36–37 °C
Boiling point
148–150 °C (at NaN Torr)
logP
1.96Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
51940-64-8
SMILES
CCOC(=O)c1cnc(Cl)nc1Cl
InChIKey
SRJBDGLSCPDXBL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl2N2O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3

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Names and synonyms

6 names
  • 5-Pyrimidinecarboxylic acid, 2,4-dichloro-, ethyl ester
  • 2,4-Dichloro-5-carbethoxypyrimidine
  • 5-Carbethoxy-2,4-dichloropyrimidine
  • 2,4-Dichloro-5-ethoxycarbonylpyrimidine
  • 2,4-Dichloro-5-carboethoxypyrimidine
  • 2,4-Dichloropyrimidine-5-carboxylic acid ethyl ester

Work with Ethyl 2,4-dichloro-5-pyrimidinecarboxylate

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

Ethyl 4-chloro-2-(methylthio)-5-pyrimidinecarboxylate5909-24-069 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-461 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-157 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate144927-57-157 % similar Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-852 % similar Ethyl 1,2,3,4-tetrahydro-4-oxo-2-thioxo-5-pyrimidinecarboxylate38026-46-950 % similar Ethyl 1,6-dihydro-2-(methylthio)-6-oxo-5-pyrimidinecarboxylate53554-29-348 % similar Ethyl 6-chloronicotinate49608-01-748 % similar

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

Elsewhere

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