2-Bromo-5-fluorobenzonitrile
TL;DR: 2-Bromo-5-fluorobenzonitrile (CAS 57381-39-2) is a chemical compound with molecular formula C7H3BrFN and molecular weight 198.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-5-fluorobenzonitrile
Also Known As: 2-Bromo-5-fluorobenzonitrile, 2-bromo-5-fluoro-benzonitrile, Bromofluorobenzonitrile2, BrC6H3(F)CN, Bromo-5-fluorobenzonitrile
| Molecular Formula | C7H3BrFN |
|---|---|
| Molecular Weight | 198.94 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.94328 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 57381-39-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)C#N)Br |
| InChIKey | MDHNVHCZDCSTMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-5-fluorobenzonitrile (CAS 57381-39-2), with molecular formula C7H3BrFN and molecular weight 198.94 g/mol. IUPAC: 2-bromo-5-fluorobenzonitrile.
Chemical Property Profile of 2-Bromo-5-fluorobenzonitrile
Property Insights of 2-Bromo-5-fluorobenzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-5-fluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2-Bromo-5-fluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-5-fluorobenzonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-5-fluorobenzonitrile?
The CAS number of 2-Bromo-5-fluorobenzonitrile is 57381-39-2.
What is the molecular formula of 2-Bromo-5-fluorobenzonitrile?
The molecular formula of 2-Bromo-5-fluorobenzonitrile is C7H3BrFN.
What is the molecular weight of 2-Bromo-5-fluorobenzonitrile?
The molecular weight of 2-Bromo-5-fluorobenzonitrile is 198.94 g/mol.
Where can I buy 2-Bromo-5-fluorobenzonitrile?
You can request a quote for 2-Bromo-5-fluorobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-5-fluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-5-fluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.