Basic information
- Standard SMILES
Cc1ccc(-c2cn3nc(-c4cccnc4C(F)(F)F)ccc3n2)cc1[N+](=O)[O-]- InChIKey
NOEHCEOACMMWLZ-UHFFFAOYSA-N- Molecular formula
- C19H12F3N5O2
- Average molar mass
- 399.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methyl-3-nitro-phenyl)-6-[2-(trifluoromethyl)-3-pyridyl]imidazo[2,1-f]pyridazine
- IUPAC
- 2-(4-methyl-3-nitrophenyl)-6-[2-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazine
Names & synonyms
2-(4-methyl-3-nitro-phenyl)-6-[2-(trifluoromethyl)-3-pyridyl]imidazo[2,1-f]pyridazineSCHEMBL10276981
Database identifiers
- PubChem CID
- 68089062
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 601
Related reactions
2 records
Compound notes
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