| CAS Number | 1346542-14-0 |
| Catalog Number | AG01C13W |
| Chemical Name | 5-amino-2-methylpyridine-3-carbonitrile |
| IUPAC Name | 5-amino-2-methylpyridine-3-carbonitrile |
| InChI | InChI=1S/C7H7N3/c1-5-6(3-8)2-7(9)4-10-5/h2,4H,9H2,1H3 |
| InChI Key | JOSMNIVBESPTEO-UHFFFAOYSA-N |
| MDL Number | MFCD26939107 |
| Molecular Formula | C7H7N3 |
| Molecular Weight | 133.1506 |
| SMILES | CC1=NC=C(C=C1C#N)N |
| Synonyms | 5-Amino-2-methylnicotinonitrile,
1346542-14-0,
AKOS027441180,
ZINC223701074,
GS-5047,
5-amino-2-methylpyridine-3-carbonitrile,
5-AMINO-3-CYANO-2-METHYLPYRIDINE,
KS-00002615,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.154g/mol |
| Monoisotopic Mass | 133.064g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number