Basic information
- Standard SMILES
O=C(O)c1cc(Cl)cnc1N1CC(Oc2cccc(C(F)(F)F)c2)C1- InChIKey
YXXQMYBYGHXCLQ-UHFFFAOYSA-N- Molecular formula
- C16H12ClF3N2O3
- Average molar mass
- 372.72 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-(3-(3-(trifluoromethyl)phenoxy)azetidin-1-yl)nicotinic acid
- IUPAC
- 5-chloro-2-[3-[3-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carboxylic acid
Names & synonyms
5-chloro-2-(3-(3-(trifluoromethyl)phenoxy)azetidin-1-yl)nicotinic acidSCHEMBL9900671
Database identifiers
- PubChem CID
- 67958288
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
1 records
Compound notes
Loading…