Basic information
- Standard SMILES
Nc1ccc(Br)c(C#Cc2ccccc2)n1- InChIKey
XQMQUBIWYYCNRQ-UHFFFAOYSA-N- Molecular formula
- C13H9BrN2
- Average molar mass
- 273.13 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-6-(2-phenylethynyl)pyridin-2-amine
- IUPAC
- 5-bromo-6-(2-phenylethynyl)pyridin-2-amine
Names & synonyms
SCHEMBL15206758XQMQUBIWYYCNRQ-UHFFFAOYSA-N5-bromo-6-(2-phenylethynyl)pyridin-2-amine5-bromo-6-(2-phenylethynyl)-pyridin-2-amine
Database identifiers
- PubChem CID
- 86694367
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 285
Related reactions
3 records
Compound notes
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