TL;DR: 1-[(3-Amino-2-pyridinyl)oxy]-3-methylpyridinium (CAS 1027630-70-1) is a chemical compound with molecular formula C11H12N3O+ and molecular weight 202.09804 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylpyridin-1-ium-1-yl)oxypyridin-3-amine
Also Known As: 1-[(3-amino-2-pyridinyl)oxy]-3-methylpyridinium, 2-(3-methylpyridyloxy)-3-pyridylamine, 2-(3-methylpyridin-1-ium-1-yl)oxypyridin-3-amine, AJ-333/25022091
| Molecular Formula | C11H12N3O+ |
| Molecular Weight | 202.09804 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.09804 Da |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
| SMILES | CC1=C[N+](=CC=C1)OC2=C(C=CC=N2)N |
| InChIKey | VOMPUPFJBOQNHS-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Amino-2-pyridinyl)oxy]-3-methylpyridinium. With a topological polar surface area (TPSA) of 52.0 Ų, 1-[(3-Amino-2-pyridinyl)oxy]-3-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3-Amino-2-pyridinyl)oxy]-3-methylpyridinium 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 1-[(3-Amino-2-pyridinyl)oxy]-3-methylpyridinium is 1027630-70-1.
The molecular formula of 1-[(3-Amino-2-pyridinyl)oxy]-3-methylpyridinium is C11H12N3O+.
The molecular weight of 1-[(3-Amino-2-pyridinyl)oxy]-3-methylpyridinium is 202.09804 g/mol.
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