| CAS Number | 1408075-65-9 |
| Catalog Number | AG00HVXF(AGN-PC-0WCKZE) |
| Chemical Name | 3-nitro-1,6-naphthyridin-5(6H)-one |
| IUPAC Name | 3-nitro-6H-1,6-naphthyridin-5-one |
| InChI | InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)4-10-7(6)1-2-9-8/h1-4H,(H,9,12) |
| InChI Key | MLPJIQYHSLWMLH-UHFFFAOYSA-N |
| MDL Number | MFCD23106139 |
| Molecular Formula | C8H5N3O3 |
| Molecular Weight | 191.1436 |
| SMILES | [O-][N+](C1=CC2=C(C=CNC2=O)N=C1)=O |
| Synonyms | 3-nitro-1,6-naphthyridin-5(6H)-one,
1408075-65-9,
3-Nitro-5,6-dihydro-1,6-naphthyridin-5-one,
AKOS025403641,
ZINC208329189,
PB38208,
SB20914,
CS-0057635,
Q-4834,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.146g/mol |
| Monoisotopic Mass | 191.033g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 87.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number