chempirical

Methyl2,4-dichloropyrimidine-5-carboxylate

C6H4Cl2N2O2CAS 3177-20-6207.01 g/mol

Open in Covalent MOL file
OONNClCl
Aryl halideEster

Properties

Molecular formula
C6H4Cl2N2O2
Molar mass
207.01 g/mol
Exact mass
205.9650 Da
logP
1.57Crippen estimate
Polar surface area
52.1 Ų
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
3177-20-6
SMILES
COC(=O)C1=CN=C(N=C1Cl)Cl
InChIKey
FNNAWVXVOHNOFF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-9-6(8)10-4(3)7/h2H,1H3

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Names and synonyms

1 names
  • Methyl 2,4-dichloropyrimidine-5-carboxylate

Work with Methyl2,4-dichloropyrimidine-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

2,4-Dichloropyrimidine-5-carbonyl chloride2972-52-356 % similar 2,3-Dimethyl 6-chloro-2,3-pyridinedicarboxylate32383-03-246 % similar 2,4-Dichloro-5-methoxypyrimidine19646-07-246 % similar 2,6-Dimethyl 4-chloropyridine-2,6-dicarboxylate5371-70-044 % similar 2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-443 % similar 2,4-Dichloro-5-methylpyrimidine1780-31-042 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-941 % similar 2-Pyrimidinecarboxylicacid,5-methyl-,methylester(6ci,9ci)76196-80-041 % similar

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

Same formula

Aminopyralid150114-71-9 2,4-Dichloro-6-nitroaniline2683-43-4 Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-5 4,6-Dichloropyridazine-3-carboxylic acid methyl ester372118-01-9 2,6-Dichloro-3-methyl-5-nitropyridine58596-88-6 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-9 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-1 2,5-Dichloro-4-nitrobenzenamine6627-34-5

Elsewhere

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