TL;DR: (1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide (CAS 135810-26-3) is a chemical compound with molecular formula C13H10ClN3 and molecular weight 243.05632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(2-chlorophenyl)methyl]-2-pyridinylidene]cyanamide
Also Known As: (1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide, Cyanamide, (1-((2-chlorophenyl)methyl)-2(1H)-pyridinylidene)-, N-Cyano-1-(2-chlorobenzyl)pyridin-2(1H)-imine, [1-[(2-chlorophenyl)methyl]pyridin-2-ylidene]cyanamide, Cyanamide,[1-[(2-chlorophenyl)methyl]-2(1H)-pyridinylidene]-(9ci)
| Molecular Formula | C13H10ClN3 |
| Molecular Weight | 243.05632 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.05632 Da |
| Heavy Atoms | 17 |
| Complexity | 402.0 |
| SMILES | C1=CC=C(C(=C1)CN2C=CC=CC2=NC#N)Cl |
| InChIKey | HPUGHEMIKXEBDN-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide. With a topological polar surface area (TPSA) of 39.4 Ų, (1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide has 0 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-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide is 135810-26-3.
The molecular formula of (1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide is C13H10ClN3.
The molecular weight of (1-((2-Chlorophenyl)methyl)-2(1H)-pyridinylidene)cyanamide is 243.05632 g/mol.
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