| CAS Number | 1211588-35-0 |
| Catalog Number | AG009F54(AGN-PC-0WR0GQ) |
| Chemical Name | 2-Ethynylpyridine-5-carbonitrile |
| IUPAC Name | 6-ethynylpyridine-3-carbonitrile |
| InChI | InChI=1S/C8H4N2/c1-2-8-4-3-7(5-9)6-10-8/h1,3-4,6H |
| InChI Key | AVVLYLFRULTXHA-UHFFFAOYSA-N |
| MDL Number | MFCD16988720 |
| Molecular Formula | C8H4N2 |
| Molecular Weight | 128.1308 |
| SMILES | N#Cc1ccc(nc1)C#C |
| Synonyms | 6-ethynylnicotinonitrile,
1211588-35-0,
6-ethynylpyridine-3-carbonitrile,
2-Ethynylpyridine-5-carbonitrile,
SCHEMBL20270120,
ZINC95616336,
AKOS026718976,
SC-51433,
F-5026,
F2167-2835,
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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 | 0.9 |
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Certificate of Analysis
Lot Number