3-Bromoquinoline

C₉H₆BrNCAS 5332-24-1208.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆BrN
Molar mass: 208.06 g/mol
Exact mass: 206.9684 Da
Melting point: 13.3 °C
Boiling point: 275 °C
logP: 3.00Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

5332-24-1

SMILES

Brc1cnc2ccccc2c1

InChIKey

ZGIKWINFUGEQEO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Quinoline, 3-bromo-
NSC 3995
Quinolin-3-yl bromide

Work with 3-Bromoquinoline

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

3,8-Dibromophenanthroline100125-12-054 % similar 3-Aminoquinoline580-17-653 % similar 3-Hydroxyquinoline580-18-753 % similar 3-Methylquinoline612-58-853 % similar 3-Bromo-1,10-phenanthroline66127-01-352 % similar 3-Quinolinecarbonitrile34846-64-550 % similar 3-Quinolinecarboxaldehyde13669-42-648 % similar 2-Bromonaphthalene580-13-246 % 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 6-Bromoquinoline5332-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook