Pyridin-3-yl 4-chlorobenzoate hydrochloride
TL;DR: Pyridin-3-yl 4-chlorobenzoate hydrochloride (CAS 1052519-89-7) is a chemical compound with molecular formula C12H9Cl2NO2 and molecular weight 269.00104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyridin-3-yl 4-chlorobenzoate;hydrochloride
Also Known As: pyridin-3-yl 4-chlorobenzoate;hydrochloride, pyridin-3-yl 4-chlorobenzoate hydrochloride, C12H9Cl2NO2
Technical Specifications
| Molecular Formula | C12H9Cl2NO2 |
| Molecular Weight | 269.00104 g/mol |
| XLogP | 3.376 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.00104 Da |
| Heavy Atoms | 17 |
| Complexity | 239.0 |
| SMILES | C1=CC(=CN=C1)OC(=O)C2=CC=C(C=C2)Cl.Cl |
| InChIKey | IILDQBBNCMYHPD-UHFFFAOYSA-N |
Chemical Property Profile of Pyridin-3-yl 4-chlorobenzoate hydrochloride
Property Insights of Pyridin-3-yl 4-chlorobenzoate hydrochloride
The XLogP value of 3.376 indicates that Pyridin-3-yl 4-chlorobenzoate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, Pyridin-3-yl 4-chlorobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridin-3-yl 4-chlorobenzoate hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyridin-3-yl 4-chlorobenzoate hydrochloride?
The CAS number of Pyridin-3-yl 4-chlorobenzoate hydrochloride is 1052519-89-7.
What is the molecular formula of Pyridin-3-yl 4-chlorobenzoate hydrochloride?
The molecular formula of Pyridin-3-yl 4-chlorobenzoate hydrochloride is C12H9Cl2NO2.
What is the molecular weight of Pyridin-3-yl 4-chlorobenzoate hydrochloride?
The molecular weight of Pyridin-3-yl 4-chlorobenzoate hydrochloride is 269.00104 g/mol.
Where can I buy Pyridin-3-yl 4-chlorobenzoate hydrochloride?
You can request a quote for Pyridin-3-yl 4-chlorobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyridin-3-yl 4-chlorobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for Pyridin-3-yl 4-chlorobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.