4-Iodo-1H-imidazole

C₃H₃IN₂CAS 71759-89-2193.98 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₃IN₂
Molar mass: 193.98 g/mol
Exact mass: 193.9341 Da
logP: 1.01Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed85.1% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.7% of notifiers

Aggregated from 47 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

71759-89-2

SMILES

C1=C(NC=N1)I

InChIKey

BHCMXJKPZOPRNN-UHFFFAOYSA-N

InChI

InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)

Weigh it out

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

Names and synonyms

1 names

4-Iodoimidazole

Work with 4-Iodo-1H-imidazole

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-Chloro-1H-imidazole15965-31-842 % similar 4-Bromoimidazole2302-25-242 % similar 4-Fluoroimidazole30086-17-042 % similar 4-Methylimidazole822-36-642 % similar 5-Methylpyrimidin-4-ol17758-52-039 % similar Imidazole-4-carboxaldehyde3034-50-237 % similar 4(5)-(Trifluoromethyl)imidazole33468-69-837 % similar 4-Imidazolemethanol822-55-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodo-1H-imidazole3034-62-6 4-Iodopyrazole3469-69-0 3-Iodo-1H-pyrazole4522-35-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook