3-Iodo-6-nitroindazole

C7H4IN3O2CAS 70315-70-7289.03 g/mol

Open in Covalent MOL file
NHNN+OO−I
Aryl halideNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
70315-70-7
SMILES
C1=CC2=C(NN=C2C=C1[N+](=O)[O-])I
InChIKey
GZCGNGLOCQEDMT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4IN3O2/c8-7-5-2-1-4(11(12)13)3-6(5)9-10-7/h1-3H,(H,9,10)

Weigh it out

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

Work with 3-Iodo-6-nitroindazole

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

3-Methyl-6-nitro-1H-indazole6494-19-565 % similar 3-Bromo-6-nitroindazole70315-68-365 % similar 3-Methyl-5-nitro-1H-indazole40621-84-953 % similar 3-Bromo-5-nitro-1H-indazole67400-25-353 % similar 6-Nitroindazole7597-18-450 % similar 2,3-Dimethyl-6-nitro-2H-indazole444731-73-148 % similar 3-Amino-5-nitroindazole41339-17-747 % similar 2-Nitrocarbazole14191-22-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodo-5-nitro-1H-indazole70315-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook