4-Iodoantipyrine

C11H11IN2OCAS 129-81-7314.13 g/mol

Open in Covalent MOL file
IONN
Aryl halide

Properties

Molecular formula
C11H11IN2O
Molar mass
314.13 g/mol
Exact mass
313.9916 Da
Melting point
160–161 °C
logP
2.09Crippen estimate
Polar surface area
26.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
129-81-7
SMILES
Cc1c(I)c(=O)n(-c2ccccc2)n1C
InChIKey
ZZOBLCHCPLOXCE-UHFFFAOYSA-N
InChI
InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 3H-Pyrazol-3-one, 1,2-dihydro-4-iodo-1,5-dimethyl-2-phenyl-
  • Antipyrine, 4-iodo-
  • 1,2-Dihydro-4-iodo-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
  • Antipyrine iodide
  • Iodoantipyrine
  • Iodophenazone
  • Iodopyrine
  • 4-Iodo-2,3-dimethyl-1-phenylpyrazolone
  • 4-Iodo-2,3-dimethyl-1-phenylpyrazol-5-one
  • Arthripur
  • Jodantipyrin
  • Jodopyrin
  • Iodantipirin
  • Iodantipyrine

Work with 4-Iodoantipyrine

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

Ampyrone83-07-865 % similar Diantipyrylmethane1251-85-063 % similar 4-Aminoantipyrine hydrochloride22198-72-760 % similar Propyphenazone479-92-560 % similar Aminopyrine58-15-160 % similar 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde950-81-260 % similar Ramifenazone3615-24-556 % similar 4-Acetylaminoantipyrine83-15-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook