5-Bromo-1-chloroisoquinoline

C9H5BrClNCAS 34551-41-2242.50 g/mol

Open in Covalent MOL file
NClBr
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

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
34551-41-2
SMILES
C1=CC2=C(C=CN=C2Cl)C(=C1)Br
InChIKey
XUWFLTLTPVIRCV-UHFFFAOYSA-N
InChI
InChI=1S/C9H5BrClN/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H

Weigh it out

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Work with 5-Bromo-1-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

5-Bromo-1(2H)-isoquinolinone190777-77-658 % similar 3-Bromo-2-chloropyridine52200-48-357 % similar 1,5-Dibromonaphthalene7351-74-854 % similar 1-Chloroisoquinoline19493-44-853 % similar 4-Bromoquinoline3964-04-348 % similar 5-Bromoquinoline4964-71-048 % similar 1,4-Dibromonaphthalene83-53-446 % similar 4-Chlorofuro[3,2-C]pyridine31270-80-145 % 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 6-Bromo-3-chloroisoquinoline552331-06-3 6-Bromo-4-chloroquinoline65340-70-7 4-Bromo-1-chloroisoquinoline66728-98-1 7-Bromo-4-chloroquinoline75090-52-7

Elsewhere

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