chempirical

6-Iodo-1H-indazole

C7H5IN2CAS 261953-36-0244.04 g/mol

Open in Covalent MOL file
INHN
Aryl halide

Properties

Molecular formula
C7H5IN2
Molar mass
244.04 g/mol
Exact mass
243.9497 Da
Melting point
204 °C
logP
2.17Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
261953-36-0
SMILES
Ic1ccc2c[nH]nc2c1
InChIKey
RSGAXJZKQDNFEP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5IN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)

Weigh it out

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

Names and synonyms

1 names
  • 1H-Indazole, 6-iodo-

Work with 6-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

1H-Indazol-6-ol23244-88-455 % similar 1H-Indazol-6-amine6967-12-055 % similar 6-Nitroindazole7597-18-446 % similar 1H-Pyrazolo[3,4-C]pyridine271-47-644 % similar 2-Iodonaphthalene612-55-540 % similar 6-Iodo-1H-indole115666-47-239 % similar 6-Iodoquinoline13327-31-637 % similar 6-Iodo-2-methyl-1H-benzimidazole2818-70-434 % similar

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

Elsewhere

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