5-Iodo-1H-indazole

C₇H₅IN₂CAS 55919-82-9244.04 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₇H₅IN₂
Molar mass: 244.04 g/mol
Exact mass: 243.9497 Da
logP: 2.17Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55919-82-9

SMILES

C1=CC2=C(C=C1I)C=NN2

InChIKey

CGCHCLICSHIAAM-UHFFFAOYSA-N

InChI

InChI=1S/C7H5IN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)

Weigh it out

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

Work with 5-Iodo-1H-indazole

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

1H-Indazol-5-ol15579-15-455 % similar 5-Methyl-1H-indazole1776-37-055 % similar 1H-Indazol-5-amine19335-11-655 % similar 5-Fluoro-1H-indazole348-26-555 % similar 5-Bromo-1H-indazole53857-57-155 % similar 5-Chloro-1H-indazole698-26-055 % similar 1H-Indazole-5-boronic acid338454-14-152 % similar 1H-Indazole-5-carboxaldehyde253801-04-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodo-7-azaindole23616-57-1 6-Iodo-1H-indazole261953-36-0 4-Iodo-7-azaindole319474-34-5 3-Iodo-1H-indazole66607-27-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook