chempirical

1-Bromoisoquinoline

C9H6BrNCAS 1532-71-4208.06 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

Identifiers

CAS number
1532-71-4
SMILES
C1=CC=C2C(=C1)C=CN=C2Br
InChIKey
YWWZASFPWWPUBN-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H

Weigh it out

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

Work with 1-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

1(2H)-Isoquinolinone491-30-554 % similar 1-Isoquinolinecarbonitrile1198-30-748 % similar 1-Bromoisoquinolin-3-amine13130-79-545 % similar Benzo[H]quinoline230-27-343 % similar 2-Bromo-3-methylpyridine3430-17-943 % similar 1-Isoquinolinecarboxylic acid486-73-743 % similar Benzo[F]quinoline85-02-942 % similar Phenanthrene85-01-842 % similar

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

Same formula

4-Bromoisoquinoline1532-97-4 8-Bromoquinoline16567-18-3 6-Bromoisoquinoline34784-05-9 7-Bromoquinoline4965-36-0 3-Bromoquinoline5332-24-1 6-Bromoquinoline5332-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook