TL;DR: 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid (CAS 163770-47-6) is a chemical compound with molecular formula C11H12ClNO3 and molecular weight 241.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid
Also Known As: BAS 02747747, AN-512/13209013, 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid, 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carboxylic acid, 2-CHLORO-7,7-DIMETHYL-5H,7H,8H-PYRANO[4,3-B]PYRIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.05057 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.05057 Da |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
| SMILES | CC1(CC2=NC(=C(C=C2CO1)C(=O)O)Cl)C |
| InChIKey | HXKKGIJJSWDNKE-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid. With a topological polar surface area (TPSA) of 59.4 Ų, 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid is 163770-47-6.
The molecular formula of 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid is C11H12ClNO3.
The molecular weight of 2-Chloro-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid is 241.05057 g/mol.
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