| CAS Number | 1391738-35-4 |
| Catalog Number | AG01BTGI |
| Chemical Name | 2-bromo-5-(prop-1-yn-1-yl)pyridine |
| IUPAC Name | 2-bromo-5-prop-1-ynylpyridine |
| InChI | InChI=1S/C8H6BrN/c1-2-3-7-4-5-8(9)10-6-7/h4-6H,1H3 |
| InChI Key | JRXLWCYBMLBJNJ-UHFFFAOYSA-N |
| MDL Number | MFCD22682236 |
| Molecular Formula | C8H6BrN |
| Molecular Weight | 196.0439 |
| SMILES | CC#CC1=CN=C(Br)C=C1 |
| Synonyms | 2-bromo-5-(prop-1-yn-1-yl)pyridine,
1391738-35-4,
ZINC238052101,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.047g/mol |
| Monoisotopic Mass | 194.968g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number