| CAS Number | 1219022-67-9 |
| Catalog Number | AG00M5IW(AGN-PC-0WBQ4W) |
| Chemical Name | 5,6,7,8-Tetrahydro-1,5-naphthyridine-2-carbonitrile |
| IUPAC Name | 5,6,7,8-tetrahydro-1,5-naphthyridine-2-carbonitrile |
| InChI | InChI=1S/C9H9N3/c10-6-7-3-4-8-9(12-7)2-1-5-11-8/h3-4,11H,1-2,5H2 |
| InChI Key | YGYLLYDTWSIIGT-UHFFFAOYSA-N |
| MDL Number | MFCD18325129 |
| Molecular Formula | C9H9N3 |
| Molecular Weight | 159.1879 |
| SMILES | N#CC1=NC2=C(NCCC2)C=C1 |
| Synonyms | 5,6,7,8-tetrahydro-1,5-naphthyridine-2-carbonitrile,
1219022-67-9,
SBB081648,
ZINC40165657,
AKOS000276537,
MCULE-6463870155,
L-4296,
F1957-0100,
Z1954800557,
1,2,3,4-tetrahydropyridino[3,2-b]pyridine-6-carbonitrile,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.192g/mol |
| Monoisotopic Mass | 159.08g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number