chempirical

6-Bromoisoquinoline

C9H6BrNCAS 34784-05-9208.06 g/mol

Open in Covalent MOL file
BrN
Aryl halide

Properties

Molecular formula
C9H6BrN
Molar mass
208.06 g/mol
Exact mass
206.9684 Da
Melting point
39 °C
logP
3.00Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
34784-05-9
SMILES
Brc1ccc2cnccc2c1
InChIKey
ZTEATMVVGQUULZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H

Weigh it out

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

Names and synonyms

3 names
  • Isoquinoline, 6-bromo-
  • NSC 229320
  • (Isoquinolin-6-yl)bromide

Work with 6-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

6-Isoquinolinol7651-82-359 % similar 2,6-Dibromoanthracene186517-01-156 % similar 6-Methylisoquinoline42398-73-253 % similar 7-Isoquinolinol7651-83-448 % similar Isoquinoline119-65-348 % similar 6-Isoquinolinecarboxylic acid106778-43-244 % similar 6-Bromo-1-isoquinolinamine215453-26-243 % similar 2-Bromo-6-methoxynaphthalene5111-65-942 % 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 7-Bromoquinoline4965-36-0 3-Bromoquinoline5332-24-1 6-Bromoquinoline5332-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook