chempirical

Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate

C8H9ClN2O2CAS 2134-36-3200.62 g/mol

Open in Covalent MOL file
OONNCl
Aryl halideEster

Properties

Molecular formula
C8H9ClN2O2
Molar mass
200.62 g/mol
Exact mass
200.0353 Da
logP
1.62Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2134-36-3
SMILES
CCOC(=O)C1=CN=C(N=C1Cl)C
InChIKey
LXIAVLIGRIDNHQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-4-10-5(2)11-7(6)9/h4H,3H2,1-2H3

Weigh it out

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

Work with Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate

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 2,4-dichloro-5-pyrimidinecarboxylate51940-64-874 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester5909-24-066 % similar Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate720-01-464 % similar Ethyl chloronicotinate1452-94-455 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-154 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate144927-57-154 % similar Ethyl 4,6-dichloropyridine-3-carboxylate40296-46-653 % similar Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate7234-25-553 % similar

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

Same formula

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate188781-08-0 2-Chlorophenoxyacetic acid hydrazide36304-40-2 4-Amidinobenzoic acid hydrochloride42823-72-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook