chempirical

5-Bromoisoquinoline

C9H6BrNCAS 34784-04-8208.06 g/mol

Open in Covalent MOL file
NBr
Aryl halide

Properties

Molecular formula
C9H6BrN
Molar mass
208.06 g/mol
Exact mass
206.9684 Da
logP
3.00Crippen 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
34784-04-8
SMILES
C1=CC2=C(C=CN=C2)C(=C1)Br
InChIKey
CYJZJGYYTFQQBY-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H

Weigh it out

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

Work with 5-Bromoisoquinoline

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

8-Bromoisoquinoline63927-22-070 % similar 5,8-Dibromoisoquinoline81045-39-859 % similar 5-Chloroisoquinoline5430-45-559 % similar 5-Aminoisoquinoline1125-60-657 % similar 5-Hydroxyisoquinoline2439-04-557 % similar 1-Bromonaphthalene90-11-954 % similar Isoquinoline-5-boronic acid371766-08-452 % similar Isoquinoline-5-carboxaldehyde80278-67-752 % similar

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

Same formula

1-Bromoisoquinoline1532-71-4 4-Bromoisoquinoline1532-97-4 8-Bromoquinoline16567-18-3 2-Bromoquinoline2005-43-8 3-Bromoisoquinoline34784-02-6 6-Bromoisoquinoline34784-05-9 4-Bromoquinoline3964-04-3 5-Bromoquinoline4964-71-0

Elsewhere

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