| CAS Number | 75867-46-8 |
| Catalog Number | AG008P5H(AGN-PC-0NJHC8) |
| Chemical Name | Pyridine,2,6-diethynyl- |
| IUPAC Name | 2,6-diethynylpyridine |
| InChI | InChI=1S/C9H5N/c1-3-8-6-5-7-9(4-2)10-8/h1-2,5-7H |
| InChI Key | VYRLFYTZNXGQIK-UHFFFAOYSA-N |
| MDL Number | MFCD09039127 |
| Molecular Formula | C9H5N |
| Molecular Weight | 127.1427 |
| SMILES | C#CC1=CC=CC(C#C)=N1 |
| Synonyms | 2,6-diethynylpyridine,
75867-46-8,
Pyridine,2,6-diethynyl-,
SCHEMBL982334,
AC1Q284F,
CTK5E2111,
DTXSID30503251,
MFCD09039127,
ZINC39048910,
AKOS006331914,
D5097,
Pyridine, 2,6-diethynyl- (9CI),
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.146g/mol |
| Monoisotopic Mass | 127.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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