chempirical

5-Iodo-1H-indole

C8H6INCAS 16066-91-4243.05 g/mol

Open in Covalent MOL file
NHI
Aryl halide

Properties

Molecular formula
C8H6IN
Molar mass
243.05 g/mol
Exact mass
242.9545 Da
logP
2.77Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
16066-91-4
SMILES
C1=CC2=C(C=CN2)C=C1I
InChIKey
TVQLYTUWUQMGMP-UHFFFAOYSA-N
InChI
InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

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Names and synonyms

1 names
  • 5-Iodoindole

Work with 5-Iodo-1H-indole

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-Methylindole614-96-054 % similar 5-Chloroindole17422-32-152 % similar 5-Hydroxyindole1953-54-452 % similar 5-Fluoroindole399-52-052 % similar 5-Aminoindole5192-03-052 % similar 5-(Trifluoromethyl)-1H-indole100846-24-047 % similar Indole-5-carboxaldehyde1196-69-647 % similar Indole-5-carbonitrile15861-24-247 % similar

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

Same formula

6-Iodo-1H-indole115666-47-2 3-Iodophenylacetonitrile130723-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook