Basic information
- CAS
76361-97-2- Standard SMILES
Brc1cccc(C#Cc2cccc(Br)n2)n1- InChIKey
POUIWAKGXDYISG-UHFFFAOYSA-N- Molecular formula
- C12H6Br2N2
- Average molar mass
- 338 g/mol
- Monoisotopic mass
- 335.88977
Names & identifiers
- Preferred name
- 2,2'-(Ethyne-1,2-diyl)bis(6-bromopyridine)
- IUPAC
- 2-bromo-6-[2-(6-bromo-2-pyridinyl)ethynyl]pyridine
Names & synonyms
76361-97-2DTXSID305141802,2'-(Ethyne-1,2-diyl)bis(6-bromopyridine)
Database identifiers
- CAS
76361-97-2- PubChem CID
- 12967992
- DTXSID
DTXSID30514180- Nikkaji
- J1.798.160I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…