5-Iodo-1H-indole

C₈H₆INCAS 16066-91-4243.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆IN
Molar mass: 243.05 g/mol
Exact mass: 242.9545 Da
logP: 2.77Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

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

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

Weigh it out

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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-Bromoindole10075-50-052 % similar 5-Chloroindole17422-32-152 % similar 5-Hydroxyindole1953-54-452 % similar 5-Fluoroindole399-52-052 % similar 5-Aminoindole5192-03-052 % similar 5-Indolylboronic acid144104-59-648 % similar 5-Iodo-1H-indazole55919-82-948 % 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 2-Iodophenylacetonitrile40400-15-5 4-Iodophenylacetonitrile51628-12-7

Elsewhere

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