3-iodo-1-methyl-5-(methylsulfonyl)-1H-indazole

HCID 71279527
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1nc(I)c2cc(S(C)(=O)=O)ccc21
InChIKey
REKJZBQEVZCBIY-UHFFFAOYSA-N
Molecular formula
C9H9IN2O2S
Average molar mass
336.15 g/mol

Names & identifiers

Preferred name
3-iodo-1-methyl-5-(methylsulfonyl)-1H-indazole
IUPAC
3-iodo-1-methyl-5-methylsulfonylindazole

Names & synonyms

1426425-91-3SCHEMBL14737204REKJZBQEVZCBIY-UHFFFAOYSA-NDB-1172863-iodo-1-methyl-5-(methylsulfonyl)-1H-indazole

Database identifiers

PubChem CID
71279527

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
60.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

Loading…