Basic information
- Standard SMILES
COC(=O)c1cc(Cl)cnc1Cc1ccc(F)cc1- InChIKey
GEIAYBXGMPEPJJ-UHFFFAOYSA-N- Molecular formula
- C14H11ClFNO2
- Average molar mass
- 279.69 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-(4-fluorobenzyl)nicotinate
- IUPAC
- methyl 5-chloro-2-[(4-fluorophenyl)methyl]pyridine-3-carboxylate
Names & synonyms
SCHEMBL4443153GEIAYBXGMPEPJJ-UHFFFAOYSA-NMethyl 5-chloro-2-(4-fluorobenzyl)nicotinate
Database identifiers
- PubChem CID
- 57572307
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
2 records
Compound notes
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