| CAS Number | 1211584-19-8 |
| Catalog Number | AG009F40(AGN-PC-0WB2IP) |
| Chemical Name | 5-Ethynylpyridine-2-carbonitrile |
| IUPAC Name | 5-ethynylpyridine-2-carbonitrile |
| InChI | InChI=1S/C8H4N2/c1-2-7-3-4-8(5-9)10-6-7/h1,3-4,6H |
| InChI Key | KCFUVIOOBLULNJ-UHFFFAOYSA-N |
| MDL Number | MFCD18205188 |
| Molecular Formula | C8H4N2 |
| Molecular Weight | 128.1308 |
| SMILES | N#CC1=NC=C(C#C)C=C1 |
| Synonyms | 5-ethynylpyridine-2-carbonitrile,
5-Ethynylpicolinonitrile,
1211584-19-8,
2-Cyano-5-ethynylpyridine,
SCHEMBL169677,
KS-00002AEP,
MFCD18205188,
ZINC72265857,
AKOS026675513,
PS-5387,
SC-51434,
F-5024,
5-ethynylpyridine-2-carbonitrile, 95% - 1G 1g,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.134g/mol |
| Monoisotopic Mass | 128.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number