TL;DR: 4-Aminonicotinaldehyde (CAS 1159822-25-9) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.04801 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-aminopyridine-3-carbaldehyde
Also Known As: 4-aminonicotinaldehyde, 4-Amino-3-formylpyridine, 4-aminopyridine-3-carbaldehyde, 4-aminopyridine-3-carboxaldehyde, 4-amino-pyridine-3-carbaldehyde
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.04801 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.04801 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| SMILES | C1=CN=CC(=C1N)C=O |
| InChIKey | GTPZHMGXKZIHKW-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminonicotinaldehyde. With a topological polar surface area (TPSA) of 56.0 Ų, 4-Aminonicotinaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Aminonicotinaldehyde has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Aminonicotinaldehyde is 1159822-25-9.
The molecular formula of 4-Aminonicotinaldehyde is C6H6N2O.
The molecular weight of 4-Aminonicotinaldehyde is 122.04801 g/mol.
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