chempirical

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

C6H4BrN3CAS 175791-49-8198.02 g/mol

Open in Covalent MOL file
NNNHBr
Aryl halide

Properties

Molecular formula
C6H4BrN3
Molar mass
198.02 g/mol
Exact mass
196.9589 Da
logP
1.72Crippen 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. Search the SDS library

Identifiers

CAS number
175791-49-8
SMILES
C1=C(C2=CN=CN=C2N1)Br
InChIKey
CMXNUWNEWCACQH-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)

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Work with 5-Bromo-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

3-Bromo-7-azaindole74420-15-852 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-544 % similar 3-Bromo-1H-pyrrolo[2,3-C]pyridine67058-76-843 % similar 3,4-Dibromo-7-azaindole1000340-33-940 % similar Purine120-73-039 % similar 5-Bromo-4(3H)-pyrimidinone19808-30-139 % similar 5-Bromo-4-chloropyrimidine56181-39-639 % similar 3-Bromo-1H-pyrazolo[3,4-D]pyrimidine1251033-27-839 % similar

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

Same formula

4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-3 7-Bromo-(1,2,4)triazolo(1,5-a)pyridine1053655-66-5 6-Bromo-[1,2,4]triazolo[4,3-a]pyridine108281-79-4 6-Bromo-1H-pyrazolo[4,3-b]pyridine1150617-54-1 6-Bromoimidazo[1,2-B]pyridazine1159977-65-7 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-7 5-Bromo-(1,2,4)triazolo(1,5-a)pyridine143329-58-2 3-Bromoimidazo[1,2-b]pyridazine18087-73-5

Elsewhere

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