| CAS Number | 1372103-93-9 |
| Catalog Number | AG009EXB(AGN-PC-0WNWA4) |
| Chemical Name | 2-Ethynyl-5-fluoro-3-methylpyridine |
| IUPAC Name | 2-ethynyl-5-fluoro-3-methylpyridine |
| InChI | InChI=1S/C8H6FN/c1-3-8-6(2)4-7(9)5-10-8/h1,4-5H,2H3 |
| InChI Key | OPMDYOPIDONVGF-UHFFFAOYSA-N |
| MDL Number | MFCD21648440 |
| Molecular Formula | C8H6FN |
| Molecular Weight | 135.1383 |
| SMILES | C(#C)C1=NC=C(C=C1C)F |
| Synonyms | 2-Ethynyl-5-fluoro-3-methylpyridine,
1372103-93-9,
2-Ethynyl-5-fluoro-3-picoline,
ZX-AP001513,
MFCD21648440,
ZINC72265840,
AKOS030530107,
FCH1566488,
PC49135,
PS-11834,
(5-Fluoro-3-methylpyridin-2-yl)acetylene,
F-5078,
F2167-5052,
2-ethynyl-5-fluoro-3-methylpyridine, 95% - 1G 1g,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.141g/mol |
| Monoisotopic Mass | 135.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number