6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine

C6H3BrClN3CAS 784150-41-0232.47 g/mol

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ClNNHNBr
Aryl halide

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
784150-41-0
SMILES
Clc1ncnc2[nH]c(Br)cc12
InChIKey
NJPXMLQSSKQIJH-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClN3/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H,(H,9,10,11)

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Names and synonyms

3 names
  • 7H-Pyrrolo[2,3-d]pyrimidine, 6-bromo-4-chloro-
  • 1H-Pyrrolo[2,3-d]pyrimidine, 6-bromo-4-chloro-
  • 8-Bromo-6-chloro-7-deazapurine

Work with 6-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-Chloro-6-methyl-7H-pyrrolo[2,3-D]pyrimidine35808-68-559 % similar 4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine876343-10-159 % similar 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-750 % similar 4-Chloro-1H-pyrazolo[3,4-d]pyrimidine5399-92-846 % similar Ethyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate187725-00-444 % similar 6-Bromo-4-chlorothieno[2,3-D]pyrimidine56844-12-343 % similar 6-Bromo-4-chloro-quinazoline38267-96-842 % similar 7-Bromo-4-chloroquinazoline573675-55-542 % 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 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-5 6-Bromo-4-chloropyrrolo[1,2-F][1,2,4]triazine916420-30-9 8-Bromo-6-chloroimidazo(1,2-b)pyridazine933190-51-3 3-Bromo-5-chloropyrazolo(1,5-a)pyrimidine960613-96-1

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