| CAS Number | 1256809-67-2 |
| Catalog Number | AG01C21N |
| Chemical Name | 5-methoxy-6-methylpyridine-3-carbonitrile |
| IUPAC Name | 5-methoxy-6-methylpyridine-3-carbonitrile |
| InChI | InChI=1S/C8H8N2O/c1-6-8(11-2)3-7(4-9)5-10-6/h3,5H,1-2H3 |
| InChI Key | KKUPOCRPLKMPKT-UHFFFAOYSA-N |
| MDL Number | MFCD18255212 |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.1619 |
| SMILES | COC1=C(C)N=CC(C#N)=C1 |
| Synonyms | 5-Methoxy-6-methylnicotinonitrile,
1256809-67-2,
5-methoxy-6-methylpyridine-3-carbonitrile,
SCHEMBL19145350,
AKOS033196586,
ZINC238330872,
Z1255445535,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.165g/mol |
| Monoisotopic Mass | 148.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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