chempirical

6-Iodo-1H-indole

C8H6INCAS 115666-47-2243.05 g/mol

Open in Covalent MOL file
INH
Aryl halide

Properties

Molecular formula
C8H6IN
Molar mass
243.05 g/mol
Exact mass
242.9545 Da
Melting point
70–71 °C
logP
2.77Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Identifiers

CAS number
115666-47-2
SMILES
Ic1ccc2cc[nH]c2c1
InChIKey
UYFYWUXBZHYQRM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6IN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H

Weigh it out

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

Names and synonyms

2 names
  • 1H-Indole, 6-iodo-
  • 6-Iodoindole

Work with 6-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

6-Chloroindole17422-33-252 % similar 6-Hydroxyindole2380-86-152 % similar 6-Bromoindole52415-29-952 % similar 6-Hydroxymethylindole1075-26-947 % similar Indole-6-carboxaldehyde1196-70-947 % similar 1H-Indole-6-carbonitrile15861-36-647 % similar 6-Methoxyindole3189-13-747 % similar 4-Iodo-2-pyridinamine552331-00-746 % similar

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

Same formula

3-Iodophenylacetonitrile130723-54-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook