3-bromo-7NI   

GtoPdb Ligand ID: 5113

Synonyms: 3-Br-7NI | 3-bromo-7-nitroindazole
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 71.82
Molecular weight 240.95
XLogP 3.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES [O-][N+](=O)c1cccc2c1n[nH]c2Br
Isomeric SMILES [O-][N+](=O)c1cccc2c1n[nH]c2Br
InChI InChI=1S/C7H4BrN3O2/c8-7-4-2-1-3-5(11(12)13)6(4)9-10-7/h1-3H,(H,9,10)
InChI Key NFSTZPMYAZRZPC-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-bromo-7-nitro-2H-indazole
Synonyms
3-Br-7NI | 3-bromo-7-nitroindazole
Database Links
CAS Registry No. 74209-34-0
ChEMBL Ligand CHEMBL479014
GtoPdb PubChem SID 178101806
PubChem CID 1649
RCSB PDB Ligand INE
Search Google for chemical match using the InChIKey NFSTZPMYAZRZPC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NFSTZPMYAZRZPC
Search UniChem for chemical match using the InChIKey NFSTZPMYAZRZPC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NFSTZPMYAZRZPC

Product suppliers

View disclaimer

Tocris
3-Bromo-7-nitroindazole
Cat. No. 0735