2-Chloro-5-(ethoxycarbonyl)pyrimidine

C₇H₇ClN₂O₂CAS 89793-12-4186.59 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₇ClN₂O₂
Molar mass: 186.59 g/mol
Exact mass: 186.0196 Da
Melting point: 61 °C
logP: 1.31Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

89793-12-4

SMILES

CCOC(=O)c1cnc(Cl)nc1

InChIKey

IEMKQRSOAOPKRJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names

5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester
2-Chloropyrimidine-5-carboxylic acid ethyl ester
Ethyl 2-chloro-5-pyrimidinecarboxylate

Work with 2-Chloro-5-(ethoxycarbonyl)pyrimidine

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 6-chloronicotinate49608-01-767 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-563 % similar Ethyl 2,4-dichloro-5-pyrimidinecarboxylate51940-64-861 % similar Diethyl terephthalate636-09-958 % similar Ethyl 4-chlorobenzoate7335-27-557 % similar Ethyl 3,5-dichlorobenzoate91085-56-257 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-356 % similar Ethyl isonicotinate1570-45-254 % similar

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

Same formula

5-Chloro-2-methyl-4-nitrobenzenamine13852-51-2 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-6 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-6 Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-1 Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-5

Elsewhere

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