chempirical

3-Bromo-4-chloro-1H-pyrazolo[3,4-D]pyrimidine

C5H2BrClN4CAS 90914-41-3233.45 g/mol

Open in Covalent MOL file
NNNHNClBr
Aryl halide

Properties

Molecular formula
C5H2BrClN4
Molar mass
233.45 g/mol
Exact mass
231.9151 Da
logP
1.77Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

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
90914-41-3
SMILES
C1=NC2=NNC(=C2C(=N1)Cl)Br
InChIKey
MDFHFCAMBZNSLV-UHFFFAOYSA-N
InChI
InChI=1S/C5H2BrClN4/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H,8,9,10,11)

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Work with 3-Bromo-4-chloro-1H-pyrazolo[3,4-D]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

3-Bromo-1H-pyrazolo[3,4-D]pyrimidine1251033-27-844 % similar 5-Bromo-4-chlorothieno[2,3-D]pyrimidine814918-95-144 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-542 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-542 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-638 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-837 % similar 3-Bromo-1H-pyrazolo(3,4-b)pyridine68618-36-037 % similar 4,5,6-Trichloropyrimidine1780-27-435 % similar

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

Elsewhere

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