| CAS Number | 355135-40-9 |
| Catalog Number | AG00IUJD(AGN-PC-0WAZOW) |
| Chemical Name | 7-Bromo-2-hydroxy-4h-pyrido[1,2-a]pyrimidin-4-one |
| IUPAC Name | 7-bromo-2-hydroxypyrido[1,2-a]pyrimidin-4-one |
| InChI | InChI=1S/C8H5BrN2O2/c9-5-1-2-6-10-7(12)3-8(13)11(6)4-5/h1-4,12H |
| InChI Key | SVGJFNCVLKQSPN-UHFFFAOYSA-N |
| MDL Number | MFCD00640151 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.0415 |
| SMILES | BrC=1C=CC=2N(C(C=C(N2)O)=O)C1 |
| Synonyms | 7-bromo-2-hydroxy-4H-pyrido[1,2-a]pyrimidin-4-one,
355135-40-9,
AC1MMY0O,
SCHEMBL17379310,
KS-000025KN,
ZINC19143277,
AKOS008967866,
GS-0629,
MCULE-2361125384,
ST50991318,
7-bromo-4-hydroxypyrido[1,2-a]pyrimidin-2-one,
7-bromo-2-hydroxy-5-hydropyridino[1,2-a]pyrimidin-4-one,
CID3268522,
3-bromo-10-hydroxy-1,7-diazabicyclo[4.4.0]deca-2,4,6,9-tetraen-8-one,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.044g/mol |
| Monoisotopic Mass | 239.953g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number