| CAS Number | 957107-12-9 |
| Catalog Number | AG01DWX8(AGN-PC-0WOL4Y) |
| Chemical Name | 7-bromopyrido[3,2-b]pyrazin-3(4H)-one |
| IUPAC Name | 7-bromo-4H-pyrido[2,3-b]pyrazin-3-one |
| InChI | InChI=1S/C7H4BrN3O/c8-4-1-5-7(10-2-4)11-6(12)3-9-5/h1-3H,(H,10,11,12) |
| InChI Key | WQVJNKVCXDEKDJ-UHFFFAOYSA-N |
| MDL Number | MFCD18452118 |
| Molecular Formula | C7H4BrN3O |
| Molecular Weight | 226.0302 |
| SMILES | O=C1NC2=NC=C(Br)C=C2N=C1 |
| Synonyms | 957107-12-9,
SCHEMBL932780,
WQVJNKVCXDEKDJ-UHFFFAOYSA-N,
ZINC72233101,
AKOS015969547,
7-Bromopyrido[2,3-b]pyrazin-3(4H)-one,
Pyrido[2,3-b]pyrazin-3(4H)-one,7-bromo-,
Pyrido[2,3-b]pyrazin-3(4H)-one, 7-bromo-,
7-bromopyrido[3,2-b]pyrazin-3(4h)-one,
7-bromo-4H-pyrido[2,3-b]pyrazin-3-one,
|
| Complexity | 231 |
| 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 | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number