Methyl 2,5,6-trichloropyrimidine-4-carboxylate

C₆H₃Cl₃N₂O₂CAS 89284-85-5241.45 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₃Cl₃N₂O₂
Molar mass: 241.45 g/mol
Exact mass: 239.9260 Da
logP: 2.22Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

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

89284-85-5

SMILES

COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl

InChIKey

TVFOOGACHSHHSX-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3N2O2/c1-13-5(12)3-2(7)4(8)11-6(9)10-3/h1H3

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Names and synonyms

1 names

Nsc64342

Work with Methyl 2,5,6-trichloropyrimidine-4-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

Methyl 3-chloropyrazine-2-carboxylate27825-21-454 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-654 % similar Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate1458-18-053 % similar Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate1458-01-151 % similar 2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-047 % similar Dimethyl tetrachloroterephthalate1861-32-147 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-246 % similar 2,4,5,6-Tetrachloropyrimidine1780-40-145 % similar

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

Same formula

Picloram1918-02-1

Elsewhere

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