Basic information
- Standard SMILES
O[C@@H]1CN(c2ccc(I)c(Cc3ccccc3)n2)C[C@@H]1F- InChIKey
IUMHWJNSZIXXSB-SWLSCSKDSA-N- Molecular formula
- C16H16FIN2O
- Average molar mass
- 398.21 g/mol
Names & identifiers
- Preferred name
- 2-benzyl-6-[(3R,4S)-3-hydroxy-4-fluoropyrrolidine-1-yl]-3-iodopyridine
- IUPAC
- (3R,4S)-1-(6-benzyl-5-iodo-2-pyridinyl)-4-fluoropyrrolidin-3-ol
Names & synonyms
SCHEMBL6377238IUMHWJNSZIXXSB-SWLSCSKDSA-N2-benzyl-6-[(3R,4S)-3-hydroxy-4-fluoropyrrolidine-1-yl]-3-iodopyridine
Database identifiers
- PubChem CID
- 69758699
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 340
Related reactions
1 records
Compound notes
Loading…