3-(3-Fluoro-5chloro-6-(1-hydroxy-2-propyn-3-yl)-2-pyridyl)4-chloro-5-difluoromethoxy-1-methyl-[1H]-pyrazole
Basic information
- Standard SMILES
Cn1nc(-c2nc(C#CCO)c(Cl)cc2F)c(Cl)c1OC(F)F- InChIKey
RJRXVPNKACDCCT-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2F3N3O2
- Average molar mass
- 366.12 g/mol
Names & identifiers
- Preferred name
- 3-(3-Fluoro-5chloro-6-(1-hydroxy-2-propyn-3-yl)-2-pyridyl)4-chloro-5-difluoromethoxy-1-methyl-[1H]-pyrazole
- IUPAC
- 3-[3-chloro-6-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-fluoro-2-pyridinyl]prop-2-yn-1-ol
Names & synonyms
3-(3-Fluoro-5chloro-6-(1-hydroxy-2-propyn-3-yl)-2-pyridyl)4-chloro-5-difluoromethoxy-1-methyl-[1H]-pyrazoleSCHEMBL7905819
Database identifiers
- PubChem CID
- 22013574
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 476
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Related reactions
2 records
Compound notes
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