5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine

C₆H₃BrClN₃CAS 22276-95-5232.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrClN₃
Molar mass: 232.46 g/mol
Exact mass: 230.9199 Da
logP: 2.37Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

22276-95-5

SMILES

C1=C(C2=C(N1)N=CN=C2Cl)Br

InChIKey

OXLMTRZWMHIZBY-UHFFFAOYSA-N

InChI

InChI=1S/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)

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

Work with 5-Bromo-4-chloro-7H-pyrrolo[2,3-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

4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-863 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-759 % similar 4-Chloro-5-methyl-7H-pyrrolo(2,3-d)pyrimidine1618-36-659 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carbonitrile24391-41-154 % similar 3-Bromo-4-chloro-1H-pyrrolo[2,3-b]pyridine1000340-39-553 % similar 4-Chloro-5-phenyl-7H-pyrrolo[2,3-D]pyrimidine208459-81-853 % similar 3,4-Dibromo-7-azaindole1000340-33-950 % similar 4-Chloro-7H-pyrrolo(2,3-d)pyrimidine-5-carboxylic acid186519-92-650 % similar

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

Same formula

7-Bromo-4-chloro-5H-pyrrolo[3,2-D]pyrimidine1032650-41-1 3-Bromo-6-chloroimidazo(1,2-b)pyridazine13526-66-4 3-Bromo-8-chloroimidazo[1,2-A]pyrazine143591-61-1 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-0

Elsewhere

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