4-Bromoisoquinoline

C₉H₆BrNCAS 1532-97-4208.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆BrN
Molar mass: 208.06 g/mol
Exact mass: 206.9684 Da
Melting point: 41.5 °C
Boiling point: 282.5 °C
logP: 3.00Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1532-97-4

SMILES

Brc1cncc2ccccc12

InChIKey

SCRBSGZBTHKAHU-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H

Weigh it out

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

Names and synonyms

3 names

Isoquinoline, 4-bromo-
NSC 56333
4-Isoquinolinyl bromide

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Isoquinolinamine23687-25-452 % similar 1,4-Dibromonaphthalene83-53-444 % similar 4-Bromo-1-chloroisoquinoline66728-98-144 % similar 7-Bromo-1H-pyrrolo[3,2-C]pyridine902837-42-744 % similar 4-Nitroisoquinoline36073-93-543 % similar 2,3-Dibromonaphthalene13214-70-542 % similar 4-Bromo-1H-pyrazolo[3,4-C]pyridine1032943-43-341 % similar Phenanthridine229-87-840 % similar

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

Same formula

1-Bromoisoquinoline1532-71-4 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