6-Bromoquinoline

C₉H₆BrNCAS 5332-25-2208.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆BrN
Molar mass: 208.06 g/mol
Exact mass: 206.9684 Da
Melting point: 24 °C
Boiling point: 281 °C
logP: 3.00Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

5332-25-2

SMILES

Brc1ccc2ncccc2c1

InChIKey

IFIHYLCUKYCKRH-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Quinoline, 6-bromo-
NSC 3996

Work with 6-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

6-Hydroxyquinoline580-16-560 % similar 6-Iodoquinoline13327-31-655 % similar 6-Fluoroquinoline396-30-555 % similar 6-Aminoquinoline580-15-455 % similar 6-Chloroquinoline612-57-755 % similar 6-Methylquinoline91-62-355 % similar Quinoline91-22-552 % similar 6-Quinolinemethanol100516-88-950 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook