| CAS Number | 101688-01-1 |
| Catalog Number | AG009S04(AGN-PC-0JK1RT) |
| Chemical Name | 2-(Pyridin-3-yl)pyrimidine-5-carbonitrile |
| IUPAC Name | 2-pyridin-3-ylpyrimidine-5-carbonitrile |
| InChI | InChI=1S/C10H6N4/c11-4-8-5-13-10(14-6-8)9-2-1-3-12-7-9/h1-3,5-7H |
| InChI Key | BRUQDTPKOZAXAU-UHFFFAOYSA-N |
| MDL Number | MFCD11840225 |
| Molecular Formula | C10H6N4 |
| Molecular Weight | 182.1814 |
| SMILES | N#CC1=CN=C(C2=CN=CC=C2)N=C1 |
| Synonyms | 2-(PYRIDIN-3-YL)PYRIMIDINE-5-CARBONITRILE,
101688-01-1,
DTXSID90857303,
MFCD11840225,
ZINC35323093,
AS-41716,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.186g/mol |
| Monoisotopic Mass | 182.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number