| CAS Number | 29049-26-1 |
| Catalog Number | AG00CF3B(AGN-PC-09RWMK) |
| Chemical Name | 1-Pyrimidin-2-yl-1h-pyridin-4-one |
| IUPAC Name | 1-pyrimidin-2-ylpyridin-4-one |
| InChI | InChI=1S/C9H7N3O/c13-8-2-6-12(7-3-8)9-10-4-1-5-11-9/h1-7H |
| InChI Key | ASWBVVVKDBPIKO-UHFFFAOYSA-N |
| MDL Number | MFCD11501084 |
| Molecular Formula | C9H7N3O |
| Molecular Weight | 173.1714 |
| SMILES | O=C1C=CN(C=C1)C1N=CC=CN=1 |
| Synonyms | 1-(2-Pyrimidinyl)-1H-4-pyridinone,
29049-26-1,
1-PYRIMIDIN-2-YL-1H-PYRIDIN-4-ONE,
DTXSID20697052,
FCH890541,
MFCD11501084,
ZINC44137179,
AKOS006323936,
MB09889,
ACM29049261,
1-(Pyrimidin-2-yl)pyridin-4(1H)-one,
AS-31372,
FT-0734179,
A-1819,
1-(Pyrimidine-2-yl)-1,4-dihydropyridine-4-one,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.175g/mol |
| Monoisotopic Mass | 173.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number