3-Iodo-1H-indazole

C7H5IN2CAS 66607-27-0244.04 g/mol

Open in Covalent MOL file
NHNI
Aryl halide

Properties

Molecular formula
C7H5IN2
Molar mass
244.04 g/mol
Exact mass
243.9497 Da
logP
2.17Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
66607-27-0
SMILES
C1=CC2=C(NN=C2C=C1)I
InChIKey
UDKYMMQGPNFWDA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H,9,10)

Weigh it out

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Names and synonyms

1 names
  • 3-Iodoindazole

Work with 3-Iodo-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

5-Bromo-3-iodo (1H)indazole459133-66-553 % similar 3-Methyl-1H-indazole3176-62-352 % similar 3-Iodo-1H-pyrazolo(3,4-b)pyridine117007-52-052 % similar 1H-Indazole-3-carbaldehyde5235-10-947 % similar 3-(Hydroxymethyl)indazole64132-13-447 % similar 3-Iodo-6-nitroindazole70315-70-745 % similar 1H-Indazole-6-carboxylic acid,3-iodo-,methyl ester885518-82-141 % similar Benzo[c]cinnoline230-17-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodo-7-azaindole23616-57-1 6-Iodo-1H-indazole261953-36-0 4-Iodo-7-azaindole319474-34-5 5-Iodo-1H-indazole55919-82-9

Elsewhere

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