TL;DR: 2-(Trifluoromethyl)pyridine-4-carbaldehyde (CAS 108338-20-1) is a chemical compound with molecular formula C7H4F3NO and molecular weight 175.0245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(trifluoromethyl)pyridine-4-carbaldehyde
Also Known As: 2-(Trifluoromethyl)isonicotinaldehyde, 2-(trifluoromethyl)pyridine-4-carbaldehyde, 2-(trifluoromethyl)-4-pyridinecarboxaldehyde, 2-(Trifluoromethyl)-pyridine-4-carboxaldehyde, 2-TRIFLUOROMETHYL-PYRIDINE-4-CARBALDEHYDE
| Molecular Formula | C7H4F3NO |
| Molecular Weight | 175.0245 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.0245 Da |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| SMILES | C1=CN=C(C=C1C=O)C(F)(F)F |
| InChIKey | CBHUHUQPLDWHIO-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Trifluoromethyl)pyridine-4-carbaldehyde. With a topological polar surface area (TPSA) of 30.0 Ų, 2-(Trifluoromethyl)pyridine-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)pyridine-4-carbaldehyde has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Trifluoromethyl)pyridine-4-carbaldehyde is 108338-20-1.
The molecular formula of 2-(Trifluoromethyl)pyridine-4-carbaldehyde is C7H4F3NO.
The molecular weight of 2-(Trifluoromethyl)pyridine-4-carbaldehyde is 175.0245 g/mol.
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