| CAS Number | 1261236-47-8 |
| Catalog Number | AG01DKWM |
| Chemical Name | [2,5'-BIPYRIMIDINE]-5-CARBONITRILE |
| IUPAC Name | 2-pyrimidin-5-ylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C9H5N5/c10-1-7-2-13-9(14-3-7)8-4-11-6-12-5-8/h2-6H |
| InChI Key | YNNUOSRONJGPRV-UHFFFAOYSA-N |
| MDL Number | MFCD18374012 |
| Molecular Formula | C9H5N5 |
| Molecular Weight | 183.1695 |
| SMILES | N#CC1=CN=C(N=C1)C1=CN=CN=C1 |
| Synonyms | [2,5'-BIPYRIMIDINE]-5-CARBONITRILE,
1261236-47-8,
MFCD18374012,
ZINC95919781,
AS-41673,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.174g/mol |
| Monoisotopic Mass | 183.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number