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

C6H3BrClN3CAS 1032650-41-1232.46 g/mol

Open in Covalent MOL file
NHNNClBr
Aryl halide

Properties

Molecular formula
C6H3BrClN3
Molar mass
232.46 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

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1032650-41-1
SMILES
C1=C(C2=C(N1)C(=NC=N2)Cl)Br
InChIKey
MSHYYIJDYMVONW-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClN3/c7-3-1-9-5-4(3)10-2-11-6(5)8/h1-2,9H

Weigh it out

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

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

7-Bromo-4-chlorothieno[3,2-D]pyrimidine31169-27-446 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-542 % similar 4-Chloro-5H-pyrrolo[3,2-D] pyrimidine84905-80-642 % similar 5-Bromo-4-chloropyrimidine56181-39-641 % similar 5-Bromo-4-chlorothieno[2,3-D]pyrimidine814918-95-141 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-638 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-837 % similar 4,5,6-Trichloropyrimidine1780-27-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-0 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

Elsewhere

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