5-Iodo-3(2H)-pyridazinone

C₄H₃IN₂OCAS 825633-94-1221.99 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₄H₃IN₂O
Molar mass: 221.99 g/mol
Exact mass: 221.9290 Da
Melting point: 147–148 °C
logP: 0.79Crippen estimate
Polar surface area: 46.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

825633-94-1

SMILES

Oc1cc(I)cnn1

InChIKey

UZWMMCWOUBWROK-UHFFFAOYSA-N

InChI

InChI=1S/C4H3IN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8)

Weigh it out

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

Names and synonyms

3 names

3(2H)-Pyridazinone, 5-iodo-
5-Iodopyridazin-3(2H)-one
5-Iodo-2,3-dihydropyridazin-3-one

Work with 5-Iodo-3(2H)-pyridazinone

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

1,2,4-Triazine-3,5(2H,4H)-dione461-89-243 % similar 1,2-Dihydro-4-methyl-3,6-pyridazinedione5754-18-735 % similar 3(2H)-Pyridazinone504-30-334 % similar 3-Iodophenol626-02-833 % similar 3-Fluoro-5-iodopyridine757950-13-332 % similar Maleic hydrazide123-33-132 % similar 2,4,6-Triiodophenol609-23-431 % similar Pyridine, 3-(chloromethyl)-5-iodo-, hydrochloride (1:1)879326-79-131 % similar

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

Elsewhere

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