chempirical

5-Bromo-2-chloro-4-methoxypyrimidine

C5H4BrClN2OCAS 57054-92-9223.45 g/mol

Open in Covalent MOL file
ONNBrCl
Aryl halideEther

Properties

Molecular formula
C5H4BrClN2O
Molar mass
223.45 g/mol
Exact mass
221.9196 Da
logP
1.90Crippen estimate
Polar surface area
35.0 Ų
H-bond donors / acceptors
0 / 3
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
57054-92-9
SMILES
COC1=NC(=NC=C1Br)Cl
InChIKey
ZPPORMCRNCNFGX-UHFFFAOYSA-N
InChI
InChI=1S/C5H4BrClN2O/c1-10-4-3(6)2-8-5(7)9-4/h2H,1H3

Weigh it out

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Work with 5-Bromo-2-chloro-4-methoxypyrimidine

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

5-Bromo-2,4-dimethoxypyrimidine56686-16-965 % similar 5-Bromo-2-chloro-4-methylpyrimidine633328-95-758 % similar 5-Bromo-2,4-dichloropyrimidine36082-50-552 % similar 3-Bromo-5-chloro-2-methoxy-pyridine102830-75-151 % similar 4-Amino-5-bromo-2-chloropyrimidine205672-25-948 % similar 2,4-Dichloro-5-methoxypyrimidine19646-07-247 % similar 3,5-Dibromo-2-methoxypyridine13472-60-146 % similar 2-Chloro-5-methoxypyrimidine22536-65-845 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook