Basic information
- Standard SMILES
COC(=O)c1ccc(F)c(-c2c(F)cc(C3COC3)cc2F)n1- InChIKey
PTLYEMZNRXBMQD-UHFFFAOYSA-N- Molecular formula
- C16H12F3NO3
- Average molar mass
- 323.27 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(2,6-difluoro-4-(oxetan-3-yl)phenyl)-5-fluoropicolinate
- IUPAC
- methyl 6-[2,6-difluoro-4-(oxetan-3-yl)phenyl]-5-fluoropyridine-2-carboxylate
Names & synonyms
SCHEMBL12078121PTLYEMZNRXBMQD-UHFFFAOYSA-Nmethyl 6-(2,6-difluoro-4-(oxetan-3-yl)phenyl)-5-fluoropicolinate
Database identifiers
- PubChem CID
- 70655142
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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