2-(Pyridin-3-yl)benzoic acid
TL;DR: 2-(Pyridin-3-yl)benzoic acid (CAS 134363-45-4) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-pyridin-3-ylbenzoic acid
Also Known As: 2-(Pyridin-3-yl)benzoic acid, 2-(3'-Pyridyl)benzoic acid, 2-(3-pyridyl)benzoic acid, 2-pyridin-3-ylbenzoic Acid, For-Asp-Phe-OMe
Technical Specifications
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.06332 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.06332 Da |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
| SMILES | C1=CC=C(C(=C1)C2=CN=CC=C2)C(=O)O |
| InChIKey | DRGNPLUCFXKUAL-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Pyridin-3-yl)benzoic acid
Property Insights of 2-(Pyridin-3-yl)benzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Pyridin-3-yl)benzoic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 2-(Pyridin-3-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyridin-3-yl)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(Pyridin-3-yl)benzoic acid?
The CAS number of 2-(Pyridin-3-yl)benzoic acid is 134363-45-4.
What is the molecular formula of 2-(Pyridin-3-yl)benzoic acid?
The molecular formula of 2-(Pyridin-3-yl)benzoic acid is C12H9NO2.
What is the molecular weight of 2-(Pyridin-3-yl)benzoic acid?
The molecular weight of 2-(Pyridin-3-yl)benzoic acid is 199.06332 g/mol.
Where can I buy 2-(Pyridin-3-yl)benzoic acid?
You can request a quote for 2-(Pyridin-3-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Pyridin-3-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Pyridin-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.