3-bromo-N-(pyridin-4-yl)benzamide
TL;DR: 3-bromo-N-(pyridin-4-yl)benzamide (CAS 113204-22-1) is a chemical compound with molecular formula C12H9BrN2O and molecular weight 275.98984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-N-pyridin-4-ylbenzamide
Also Known As: benzamide,3-bromo-n-4-pyridinyl-, 3-Bromo-N-4-pyridinylbenzamide, 3-bromo-N-(pyridin-4-yl)benzamide, 3-bromo-N-pyridin-4-ylbenzamide, 3-bromo-N-pyridin-4-yl-benzamide
Technical Specifications
| Molecular Formula | C12H9BrN2O |
| Molecular Weight | 275.98984 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.98984 Da |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)NC2=CC=NC=C2 |
| InChIKey | GXPUXSIIEFCIOV-UHFFFAOYSA-N |
Chemical Property Profile of 3-bromo-N-(pyridin-4-yl)benzamide
Property Insights of 3-bromo-N-(pyridin-4-yl)benzamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-N-(pyridin-4-yl)benzamide. With a topological polar surface area (TPSA) of 42.0 Ų, 3-bromo-N-(pyridin-4-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-N-(pyridin-4-yl)benzamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-bromo-N-(pyridin-4-yl)benzamide?
The CAS number of 3-bromo-N-(pyridin-4-yl)benzamide is 113204-22-1.
What is the molecular formula of 3-bromo-N-(pyridin-4-yl)benzamide?
The molecular formula of 3-bromo-N-(pyridin-4-yl)benzamide is C12H9BrN2O.
What is the molecular weight of 3-bromo-N-(pyridin-4-yl)benzamide?
The molecular weight of 3-bromo-N-(pyridin-4-yl)benzamide is 275.98984 g/mol.
Where can I buy 3-bromo-N-(pyridin-4-yl)benzamide?
You can request a quote for 3-bromo-N-(pyridin-4-yl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-bromo-N-(pyridin-4-yl)benzamide?
Yes, CoreyChem provides custom synthesis services for 3-bromo-N-(pyridin-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.