TL;DR: 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine (CAS 1049755-15-8) is a chemical compound with molecular formula C12H11Cl3N2 and molecular weight 287.99878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,4-dichlorophenyl)methyl]pyridin-4-imine;hydrochloride
Also Known As: 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine, 1-(2,4-dichlorobenzyl)pyridin-4(1H)-imine hydrochloride
| Molecular Formula | C12H11Cl3N2 |
| Molecular Weight | 287.99878 g/mol |
| XLogP | 3.74447 |
| Topological Polar Surface Area (TPSA) | 27.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.99878 Da |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)CN2C=CC(=N)C=C2.Cl |
| InChIKey | SMEMCVRKGDTJFJ-UHFFFAOYSA-N |
The XLogP value of 3.74447 indicates that 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.1 Ų, 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine is 1049755-15-8.
The molecular formula of 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine is C12H11Cl3N2.
The molecular weight of 1-(2,4-Dichloro-benzyl)-1H-pyridin-4-ylideneamine is 287.99878 g/mol.
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