Basic information
- Standard SMILES
COc1nc(C)ccc1Cn1nc(I)c2c([N+](=O)[O-])cccc21- InChIKey
NGMADJRRHDDFEY-UHFFFAOYSA-N- Molecular formula
- C15H13IN4O3
- Average molar mass
- 424.19 g/mol
Names & identifiers
- Preferred name
- 3-iodo-1-((2-methoxy-6-methylpyridin-3-yl)methyl)-4-nitro-1H-indazole
- IUPAC
- 3-iodo-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-4-nitroindazole
Names & synonyms
SCHEMBL2047820NGMADJRRHDDFEY-UHFFFAOYSA-N3-iodo-1-((2-methoxy-6-methylpyridin-3-yl)methyl)-4-nitro-1H-indazole
Database identifiers
- PubChem CID
- 67259609
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Related reactions
4 records
Compound notes
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