5-Bromoindole-3-carboxaldehyde

C9H6BrNOCAS 877-03-2224.06 g/mol

Open in Covalent MOL file
ONHBr
AldehydeAryl halide

Properties

Molecular formula
C9H6BrNO
Molar mass
224.06 g/mol
Exact mass
222.9633 Da
Melting point
205 °C
logP
2.74Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
877-03-2
SMILES
O=Cc1c[nH]c2ccc(Br)cc12
InChIKey
PEENKJZANBYXNB-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H

Weigh it out

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

Names and synonyms

6 names
  • 1H-Indole-3-carboxaldehyde, 5-bromo-
  • Indole-3-carboxaldehyde, 5-bromo-
  • 5-Bromo-1H-indole-3-carboxaldehyde
  • 5-Bromo-3-formylindole
  • 5-Bromoindole-3-carbaldehyde
  • NSC 66831

Work with 5-Bromoindole-3-carboxaldehyde

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-Fluoro-1H-indole-3-carbaldehyde2338-71-861 % similar 5-Methylindole-3-carboxaldehyde52562-50-261 % similar 5-Chloroindole-3-carboxaldehyde827-01-061 % similar 5-Methoxyindole-3-carbaldehyde10601-19-158 % similar 3-Formyl-1H-indole-5-carbonitrile17380-18-656 % similar Indole-3-carbaldehyde487-89-856 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-354 % similar 5-Nitro-1H-indole-3-carbaldehyde6625-96-354 % 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-Bromoindole-3-carbaldehyde17826-04-9 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 4-Bromobenzoylacetonitrile4592-94-3

Elsewhere

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