| CAS Number | 30413-55-9 |
| Catalog Number | AG01DWBH |
| Chemical Name | 3-ethynyl-2-methylpyridine |
| IUPAC Name | 3-ethynyl-2-methylpyridine |
| InChI | InChI=1S/C8H7N/c1-3-8-5-4-6-9-7(8)2/h1,4-6H,2H3 |
| InChI Key | QWIFZJLXMLPGCA-UHFFFAOYSA-N |
| MDL Number | MFCD13175244 |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.1479 |
| SMILES | CC1=C(C#C)C=CC=N1 |
| Synonyms | 3-ETHYNYL-2-METHYL-PYRIDINE,
30413-55-9,
3-ethynyl-2-methylpyridine,
2-methyl-3-ethynylpyridine,
2-Methyl-3-ethynyl pyridine,
SCHEMBL4036995,
DTXSID50561272,
QWIFZJLXMLPGCA-UHFFFAOYSA-N,
AB66573,
F-5001,
PYRIDINE, 3-ETHYNYL-2-METHYL-,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.151g/mol |
| Monoisotopic Mass | 117.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number