TL;DR: 1-(2-Bromo-3-pyridinyl)-2,2-dimethylpropan-1-one (CAS 153473-76-8) is a chemical compound with molecular formula C10H12BrNO and molecular weight 241.01022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromo-3-pyridinyl)-2,2-dimethylpropan-1-one
Also Known As: 1-Propanone, 1-(2-bromo-3-pyridinyl)-2,2-dimethyl-, 1-(2-bromopyridin-3-yl)-2,2-dimethyl-propan-1-one, 1-PROPANONE,1-(2-BROMO-3-PYRIDINYL)-2,2-DIMETHYL-
| Molecular Formula | C10H12BrNO |
| Molecular Weight | 241.01022 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.01022 Da |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| SMILES | CC(C)(C)C(=O)C1=C(N=CC=C1)Br |
| InChIKey | JUBRHVSNXNHVGB-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 1-(2-Bromo-3-pyridinyl)-2,2-dimethylpropan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(2-Bromo-3-pyridinyl)-2,2-dimethylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromo-3-pyridinyl)-2,2-dimethylpropan-1-one has 0 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 1-(2-Bromo-3-pyridinyl)-2,2-dimethylpropan-1-one is 153473-76-8.
The molecular formula of 1-(2-Bromo-3-pyridinyl)-2,2-dimethylpropan-1-one is C10H12BrNO.
The molecular weight of 1-(2-Bromo-3-pyridinyl)-2,2-dimethylpropan-1-one is 241.01022 g/mol.
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