Basic information
- Standard SMILES
BrCCCCCCCc1cc(-c2ccccn2)nc(-c2ccccn2)c1- InChIKey
GTUVYRCUPRKNLH-UHFFFAOYSA-N- Molecular formula
- C22H24BrN3
- Average molar mass
- 410.3 g/mol
Names & identifiers
- Preferred name
- 4'-(7-Bromoheptyl)-2,2';6',2''-terpyridine
- IUPAC
- 4-(7-bromoheptyl)-2,6-dipyridin-2-ylpyridine
Names & synonyms
SCHEMBL4849559GTUVYRCUPRKNLH-UHFFFAOYSA-N4'-(7-bromoheptyl)-2,2';6',2''-terpyridine
Database identifiers
- PubChem CID
- 69216600
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 352
Related reactions
1 records
Compound notes
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