| CAS Number | 1142927-39-6 |
| Catalog Number | AG01BAV2 |
| Chemical Name | 1,8-Naphthyridine-3-carbonitrile |
| IUPAC Name | 1,8-naphthyridine-3-carbonitrile |
| InChI | InChI=1S/C9H5N3/c10-5-7-4-8-2-1-3-11-9(8)12-6-7/h1-4,6H |
| InChI Key | LKSJXDPHTNUEIJ-UHFFFAOYSA-N |
| MDL Number | MFCD18802345 |
| Molecular Formula | C9H5N3 |
| Molecular Weight | 155.1561 |
| SMILES | N#CC1=CC2=CC=CN=C2N=C1 |
| Synonyms | 1,8-naphthyridine-3-carbonitrile,
1142927-39-6,
naphthyridine-3-carbonitrile,
SCHEMBL1119327,
AKOS033769213,
ZINC115278415,
Z2130640863,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.16g/mol |
| Monoisotopic Mass | 155.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number