chempirical

6-Bromo-3-chloroisoquinoline

C9H5BrClNCAS 552331-06-3242.50 g/mol

Open in Covalent MOL file
NBrCl
Aryl halide

Properties

Molecular formula
C9H5BrClN
Molar mass
242.50 g/mol
Exact mass
240.9294 Da
logP
3.65Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
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
552331-06-3
SMILES
C1=CC2=CN=C(C=C2C=C1Br)Cl
InChIKey
HYCCUWZOOADPGN-UHFFFAOYSA-N
InChI
InChI=1S/C9H5BrClN/c10-8-2-1-6-5-12-9(11)4-7(6)3-8/h1-5H

Weigh it out

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Work with 6-Bromo-3-chloroisoquinoline

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-Chloroisoquinoline19493-45-959 % similar 5-Bromo-2-chloropyridine53939-30-353 % similar 2,7-Dibromonaphthalene58556-75-552 % similar 4-Bromo-2-chloropyridine73583-37-652 % similar 6-Bromo-2-chloroquinazoline882672-05-151 % similar 7-Bromo-2-chloroquinazoline953039-66-251 % similar 2,6-Dibromoanthracene186517-01-150 % similar 2-Bromoanthracene7321-27-950 % similar

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

Same formula

8-Bromo-2-chloroquinoline163485-86-7 6-Bromo-2-chloroquinoline1810-71-5 6-Bromo-1-chloro-isoquinoline205055-63-6 7-Bromo-1-chloroisoquinoline215453-51-3 5-Bromo-1-chloroisoquinoline34551-41-2 6-Bromo-4-chloroquinoline65340-70-7 4-Bromo-1-chloroisoquinoline66728-98-1 7-Bromo-4-chloroquinoline75090-52-7

Elsewhere

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