Basic information
- Standard SMILES
O=[N+]([O-])c1cccc2c1c(I)nn2Cc1ccc(C(F)(F)F)cn1- InChIKey
YJNBFMUJSMAAJP-UHFFFAOYSA-N- Molecular formula
- C14H8F3IN4O2
- Average molar mass
- 448.14 g/mol
Names & identifiers
- Preferred name
- 3-iodo-4-nitro-1-((5-(trifluoromethyl)pyridin-2-yl)methyl)-1H-indazole
- IUPAC
- 3-iodo-4-nitro-1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazole
Names & synonyms
3-iodo-4-nitro-1-((5-(trifluoromethyl)pyridin-2-yl)methyl)-1H-indazoleSCHEMBL15312666
Database identifiers
- PubChem CID
- 86699343
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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