TL;DR: 3-chloro-N-(pyridin-2-yl)propanamide (CAS 128456-13-3) is a chemical compound with molecular formula C8H9ClN2O and molecular weight 184.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-N-pyridin-2-ylpropanamide
Also Known As: 3-chloro-N-(pyridin-2-yl)propanamide, 3-chloro-N-pyridin-2-ylpropanamide, 3-chloro-N-(2-pyridyl)propanamide, 3-chloro-N-pyridin-2-yl-propanamide, Propanamide, 3-chloro-N-2-pyridinyl-
| Molecular Formula | C8H9ClN2O |
| Molecular Weight | 184.04034 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.04034 Da |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| SMILES | C1=CC=NC(=C1)NC(=O)CCCl |
| InChIKey | FDYLLPDWPNJJFT-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(pyridin-2-yl)propanamide. With a topological polar surface area (TPSA) of 42.0 Ų, 3-chloro-N-(pyridin-2-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(pyridin-2-yl)propanamide has 1 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 3-chloro-N-(pyridin-2-yl)propanamide is 128456-13-3.
The molecular formula of 3-chloro-N-(pyridin-2-yl)propanamide is C8H9ClN2O.
The molecular weight of 3-chloro-N-(pyridin-2-yl)propanamide is 184.04034 g/mol.
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