6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenyl}-nicotinic acid methyl ester
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Basic information
- Standard SMILES
COC(=O)c1ccc(-c2ccc(C(C)C(O)(c3ccnc(C)c3)C(F)(F)F)c(Cl)c2)nc1- InChIKey
IFSLPNWFBMRENT-UHFFFAOYSA-N- Molecular formula
- C23H20ClF3N2O3
- Average molar mass
- 464.9 g/mol
Names & identifiers
- Preferred name
- 6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenyl}-nicotinic acid methyl ester
- IUPAC
- methyl 6-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(2-methyl-4-pyridinyl)butan-2-yl]phenyl]pyridine-3-carboxylate
Names & synonyms
6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenyl}-nicotinic acid methyl esterSCHEMBL480104
Database identifiers
- PubChem CID
- 66699166
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 652
Related reactions
4 records
Compound notes
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