3-Chloro-2-[1-(4-chlorophenyl)-1-methoxycarbonyl-methyl]-5-trifluoromethylpyridine
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Basic information
- Standard SMILES
COC(=O)C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl- InChIKey
WWLLXOWLORCFLK-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2F3NO2
- Average molar mass
- 364.1 g/mol
- Monoisotopic mass
- 363.0040684
Names & identifiers
- Preferred name
- 3-Chloro-2-[1-(4-chlorophenyl)-1-methoxycarbonyl-methyl]-5-trifluoromethylpyridine
- IUPAC
- methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
Names & synonyms
3-Chloro-2-[1-(4-chlorophenyl)-1-methoxycarbonyl-methyl]-5-trifluoromethylpyridineSCHEMBL7688138
Database identifiers
- PubChem CID
- 18327273
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
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Related reactions
2 records
Compound notes
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