| CAS Number | 1379345-98-8 |
| Catalog Number | AG01AG3M(AGN-PC-0WO2DO) |
| Chemical Name | 8-bromo-5H,6H-pyrido[4,3-d]pyrimidin-5-one |
| IUPAC Name | 8-bromo-6H-pyrido[4,3-d]pyrimidin-5-one |
| InChI | InChI=1S/C7H4BrN3O/c8-5-2-10-7(12)4-1-9-3-11-6(4)5/h1-3H,(H,10,12) |
| InChI Key | CUJNMOCHMSXKKC-UHFFFAOYSA-N |
| MDL Number | MFCD18916752 |
| Molecular Formula | C7H4BrN3O |
| Molecular Weight | 226.0302 |
| SMILES | BrC1C2=C(C=NC=N2)C(=O)NC=1 |
| Synonyms | 8-bromo-5H,6H-pyrido[4,3-d]pyrimidin-5-one,
1379345-98-8,
SCHEMBL16652137,
CUJNMOCHMSXKKC-UHFFFAOYSA-N,
ZINC73738981,
AKOS023092873,
NE57631,
8-bromo-6H-pyrido[4,3-d]pyrimidin-5-one,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.033g/mol |
| Monoisotopic Mass | 224.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number