Basic information
- Standard SMILES
O=C(O)c1cc(Cl)cnc1N1CC(COc2ccc(F)cc2)C1- InChIKey
BPZFEKDZVJIQDN-UHFFFAOYSA-N- Molecular formula
- C16H14ClFN2O3
- Average molar mass
- 336.74 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-(3-((4-fluorophenoxy)methyl)azetidin-1-yl)nicotinic acid
- IUPAC
- 5-chloro-2-[3-[(4-fluorophenoxy)methyl]azetidin-1-yl]pyridine-3-carboxylic acid
Names & synonyms
SCHEMBL9900806BPZFEKDZVJIQDN-UHFFFAOYSA-N5-chloro-2-(3-((4-fluorophenoxy)methyl)azetidin-1-yl)nicotinic acid
Database identifiers
- PubChem CID
- 67958359
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
Related reactions
2 records
Compound notes
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