Basic information
- Standard SMILES
CC#Cc1cc(Br)ccn1- InChIKey
OSGGCQGCVAYHEC-UHFFFAOYSA-N- Molecular formula
- C8H6BrN
- Average molar mass
- 196.04 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-(prop-1-yn-1-yl)pyridine
- IUPAC
- 4-bromo-2-prop-1-ynylpyridine
Names & synonyms
4-Bromo-2-(prop-1-yn-1-yl)pyridine1383985-12-3MFCD231633054-bromo-2-prop-1-ynylpyridineSCHEMBL9948329SCHEMBL304777944-bromo-2-prop-1-ynyl-pyridine4-Bromo-2-(1-propynyl)pyridineOSGGCQGCVAYHEC-UHFFFAOYSA-N4-bromo-2-(prop-1-ynyl)pyridineDA-21328SY271360
Show more names
F986078
Database identifiers
- PubChem CID
- 67979528
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 165
Related reactions
1 records
Compound notes
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