chempirical

2-Iodobenzonitrile

C7H4INCAS 4387-36-4229.02 g/mol

Open in Covalent MOL file
NI
Aryl halideNitrile

Properties

Molecular formula
C7H4IN
Molar mass
229.02 g/mol
Exact mass
228.9388 Da
Melting point
54–55 °C
logP
2.16Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
4387-36-4
SMILES
N#Cc1ccccc1I
InChIKey
JDDAFHUEOVUDFJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • Benzonitrile, 2-iodo-
  • Benzonitrile, o-iodo-
  • o-Iodobenzonitrile
  • 2-Iodophenyl cyanide
  • o-Cyanophenyl iodide
  • 2-Cyanophenyl iodide

Work with 2-Iodobenzonitrile

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

Phthalonitrile91-15-660 % similar 5-Bromo-2-iodobenzonitrile121554-10-752 % similar 1,2-Diiodobenzene615-42-950 % similar 2-Bromobenzonitrile2042-37-748 % similar 2-Aminobenzonitrile1885-29-646 % similar 2-Fluorobenzonitrile394-47-846 % similar 2-Hydroxybenzonitrile611-20-146 % similar 2-Chlorobenzonitrile873-32-546 % similar

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

Same formula

4-Iodobenzonitrile3058-39-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook