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

C₆H₃BrClN₃CAS 784150-41-0232.47 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃BrClN₃
Molar mass: 232.47 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

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)

Weigh it out

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

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-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-750 % similar 4-Chloro-1H-pyrazolo[3,4-D]pyrimidine5399-92-846 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-542 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-538 % similar 4,5-Dichloro-7H-pyrrolo[2,3-D]pyrimidine115093-90-837 % similar 4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-836 % similar 4,5,6-Trichloropyrimidine1780-27-435 % similar 4-Chloro-5-iodo-7H-pyrrol[2,3-D]pyrimidine123148-78-735 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook