2-Amino-6-fluorobenzonitrile
TL;DR: 2-Amino-6-fluorobenzonitrile (CAS 1276524-56-1) is a chemical compound with molecular formula C7H5FN2 and molecular weight 136.04367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-6-fluorobenzonitrile
Also Known As: 2-Amino-6-fluorobenzonitrile, 6-Fluoroanthranilonitrile, Hydroxy Celecoxib-d4, 6-Fluoro-2-aminobenzonitrile, 2-Cyano-3-fluoroaniline
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5FN2 |
| Molecular Weight | 136.04367 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.04367 Da |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
| SMILES | C1=CC(=C(C(=C1)F)C#N)N |
| InChIKey | IQUNZGOZUJITBJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-6-fluorobenzonitrile
Property Insights of 2-Amino-6-fluorobenzonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-6-fluorobenzonitrile. With a topological polar surface area (TPSA) of 49.8 Ų, 2-Amino-6-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-6-fluorobenzonitrile 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-Amino-6-fluorobenzonitrile?
The CAS number of 2-Amino-6-fluorobenzonitrile is 1276524-56-1.
What is the molecular formula of 2-Amino-6-fluorobenzonitrile?
The molecular formula of 2-Amino-6-fluorobenzonitrile is C7H5FN2.
What is the molecular weight of 2-Amino-6-fluorobenzonitrile?
The molecular weight of 2-Amino-6-fluorobenzonitrile is 136.04367 g/mol.
Where can I buy 2-Amino-6-fluorobenzonitrile?
You can request a quote for 2-Amino-6-fluorobenzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-6-fluorobenzonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Amino-6-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.