| CAS Number | 1565845-69-3 |
| Catalog Number | AG00IWXF(AGN-PC-0WARDF) |
| Chemical Name | Methyl 2-(pyridin-2-yl)-4-(pyridin-4-yl)pyrimidine-5-carboxylate |
| IUPAC Name | methyl 2-pyridin-2-yl-4-pyridin-4-ylpyrimidine-5-carboxylate |
| InChI | InChI=1S/C16H12N4O2/c1-22-16(21)12-10-19-15(13-4-2-3-7-18-13)20-14(12)11-5-8-17-9-6-11/h2-10H,1H3 |
| InChI Key | LKGSYVWHKKKZRT-UHFFFAOYSA-N |
| MDL Number | MFCD27957296 |
| Molecular Formula | C16H12N4O2 |
| Molecular Weight | 292.2921 |
| SMILES | O=C(OC)C2(=C(N=C(C1(=NC=CC=C1))N=C2)C3(=CC=NC=C3)) |
| Synonyms | methyl 2-(pyridin-2-yl)-4-(pyridin-4-yl)pyrimidine-5-carboxylate,
1565845-69-3,
KS-00001TFC,
ZINC95929090,
AKOS022168269,
OR310435,
1E-903,
|
| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.298g/mol |
| Monoisotopic Mass | 292.096g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number