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Basic information
- Standard SMILES
Cn1nc(-c2ncc(Cl)cc2F)c([N+](=O)[O-])c1OC(F)F- InChIKey
IUQJUDVVAIHVDB-UHFFFAOYSA-N- Molecular formula
- C10H6ClF3N4O3
- Average molar mass
- 322.63 g/mol
Names & identifiers
- Preferred name
- 3-(3-Fluoro-5-chloro-2-pyridyl)-4-nitro-5-difluoromethoxy-1-methyl-[1H]-pyrazole
- IUPAC
- 5-chloro-2-[5-(difluoromethoxy)-1-methyl-4-nitropyrazol-3-yl]-3-fluoropyridine
Names & synonyms
3-(3-Fluoro-5-chloro-2-pyridyl)-4-nitro-5-difluoromethoxy-1-methyl-[1H]-pyrazoleSCHEMBL7898138
Database identifiers
- PubChem CID
- 22013565
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Related reactions
3 records
Compound notes
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