Basic information
- Standard SMILES
Clc1ccc(-c2ccc(C#Cc3ccc(OCCN4CCCC4)cc3)cn2)cc1- InChIKey
HBNZXERBOWDACF-UHFFFAOYSA-N- Molecular formula
- C25H23ClN2O
- Average molar mass
- 402.9 g/mol
- Monoisotopic mass
- 402.1498911
Names & identifiers
- Preferred name
- 2-(4-Chloro-phenyl)-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
- IUPAC
- 2-(4-chlorophenyl)-5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethynyl]pyridine
Names & synonyms
CHEMBL3601018SCHEMBL2323310HBNZXERBOWDACF-UHFFFAOYSA-NBDBM501077552-(4-chloro-phenyl)-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenylethynyl]-pyridine
Database identifiers
- PubChem CID
- 59835909
- ChEMBL
CHEMBL3601018
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Related reactions
3 records
Compound notes
Loading…