chempirical

3-Iodo-5-nitro-1H-indazole

C7H4IN3O2CAS 70315-69-4289.03 g/mol

Open in Covalent MOL file
ON+O−NHNI
Aryl halideNitro

Properties

Molecular formula
C7H4IN3O2
Molar mass
289.03 g/mol
Exact mass
288.9348 Da
Melting point
214 °C
logP
2.08Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
70315-69-4
SMILES
O=[N+]([O-])c1ccc2[nH]nc(I)c2c1
InChIKey
UCTRCMYXPOXOSN-UHFFFAOYSA-N
InChI
InChI=1S/C7H4IN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

2 names
  • 1H-Indazole, 3-iodo-5-nitro-
  • 3-Iodo-5-nitro-2H-indazole

Work with 3-Iodo-5-nitro-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

2,3-Dimethyl-5-nitro-1H-indole21296-94-647 % similar 3-Methyl-6-nitro-1H-indazole6494-19-547 % similar 5-Nitrobenzotriazole2338-12-747 % similar 5-Nitroindole6146-52-745 % similar 2-Amino-5-nitrobenzimidazole6232-92-445 % similar 4-Hydroxy-7-nitro-1(2H)-phthalazinone3682-19-744 % similar Methyl 3-iodoindazole-5-carboxylate885271-25-044 % similar 6-Nitroindazole7597-18-443 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook