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

C₆H₃BrClN₃CAS 1032650-41-1232.46 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

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

5-Bromo-4,6-dichloropyrimidine68797-61-542 % similar 5-Bromo-4-chloropyrimidine56181-39-641 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-837 % similar 4,5,6-Trichloropyrimidine1780-27-435 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-735 % similar 5-Bromo-4-chloro-1H-pyrrolo[2,3-B]pyridine876343-82-735 % similar 3-Bromo-2-chloropyridine52200-48-334 % similar 5-(4-Bromophenyl)-4,6-dichloropyrimidine146533-41-734 % 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 6-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine784150-41-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook