TL;DR: 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- (CAS 136429-18-0) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbaldehyde
Also Known As: 3-(4,6-dimethoxypyrimidin-2-yl)oxypyridine-2-carbaldehyde, 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, 3-(4,6-dimethoxy-2-pyrimidinyloxy)-2-formylpyridine, 4,6-dimethoxy-2-(2-formyl-3-pyridyloxy) pyrimidine, 2-Pyridinecarboxaldehyde,3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]
| Molecular Formula | C12H11N3O4 |
| Molecular Weight | 261.07495 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 83.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.07495 Da |
| Heavy Atoms | 19 |
| Complexity | 280.0 |
| SMILES | COC1=CC(=NC(=N1)OC2=C(N=CC=C2)C=O)OC |
| InChIKey | PGDFWRINOJTSDB-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-. The TPSA of 83.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-. Following Lipinski's Rule of Five, 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- is 136429-18-0.
The molecular formula of 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- is C12H11N3O4.
The molecular weight of 2-Pyridinecarboxaldehyde, 3-[(4,6-dimethoxy-2-pyrimidinyl)oxy]- is 261.07495 g/mol.
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