Basic information
- Standard SMILES
CC(C)(O)C#Cc1cccc(Br)n1- InChIKey
KADVCZZQCFOWEX-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO
- Average molar mass
- 240.1 g/mol
Names & identifiers
- Preferred name
- 4-(6-Bromopyridin-2-yl)-2-methylbut-3-yn-2-ol
- IUPAC
- 4-(6-bromo-2-pyridinyl)-2-methylbut-3-yn-2-ol
Names & synonyms
4-(6-bromopyridin-2-yl)-2-methylbut-3-yn-2-ol475640-18-7SCHEMBL3508016KADVCZZQCFOWEX-UHFFFAOYSA-NDA-05613
Database identifiers
- PubChem CID
- 59525879
- Nikkaji
- J1.843.632I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Related reactions
4 records
Compound notes
Loading…