6-Bromoindole-3-carbaldehyde

C₉H₆BrNOCAS 17826-04-9224.06 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₉H₆BrNO
Molar mass: 224.06 g/mol
Exact mass: 222.9633 Da
logP: 2.74Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

17826-04-9

SMILES

C1=CC2=C(C=C1Br)NC=C2C=O

InChIKey

WCCLQCBKBPTODV-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H

Weigh it out

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

Names and synonyms

1 names

6-Bromoindole-3-carboxaldehyde

Work with 6-Bromoindole-3-carbaldehyde

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

5-Bromoindole-3-carboxaldehyde877-03-276 % similar 6-Fluoroindole-3-carboxaldehyde2795-41-761 % similar Indole-3-carbaldehyde487-89-856 % similar Methyl 3-formyl-1H-indole-6-carboxylate133831-28-450 % similar 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-750 % similar 5-Fluoro-1H-indole-3-carbaldehyde2338-71-849 % similar 4-Bromo-2-hydroxybenzaldehyde22532-62-347 % similar 5-Methoxyindole-3-carboxaldehyde10601-19-146 % similar

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

Same formula

5-Bromo-8-hydroxyquinoline1198-14-7 6-Bromo-4-hydroxyquinoline145369-94-4 6-Bromoquinolin-2(1H)-one1810-66-8 5-Bromo-1(2H)-isoquinolinone190777-77-6 4-Cyanophenacyl bromide20099-89-2 7-Bromo-1-hydroxyisoquinoline223671-15-6 7-Bromo-4-hydroxyquinoline82121-06-0 6-Bromo-1(2H)-isoquinolinone82827-09-6

Elsewhere

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