2-Fluoro-5-methylbenzonitrile
TL;DR: 2-Fluoro-5-methylbenzonitrile (CAS 73069-28-0) is a chemical compound with molecular formula C8H6FN and molecular weight 135.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-5-methylbenzonitrile
Also Known As: 2-Fluoro-5-methylbenzonitrile, Praeruptorin B, 6-Fluoro-m-tolunitrile, 5-Methy2-fluorobenzonitrile, 2-fluoro-5-methyl-benzonitrile
| Molecular Formula | C8H6FN |
|---|---|
| Molecular Weight | 135.05 g/mol |
| LogP | 2.0058 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.04843 |
| Heavy Atoms | 10 |
| Complexity | 285.79935 |
Chemical Identifiers
| CAS Number | 73069-28-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)F)C#N |
Product Overview
2-Fluoro-5-methylbenzonitrile (CAS 73069-28-0), with molecular formula C8H6FN and molecular weight 135.05 g/mol. IUPAC: 2-fluoro-5-methylbenzonitrile.
Chemical Property Profile of 2-Fluoro-5-methylbenzonitrile
Property Insights of 2-Fluoro-5-methylbenzonitrile
The XLogP value of 2.0058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-5-methylbenzonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Fluoro-5-methylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-5-methylbenzonitrile has 0 hydrogen bond donor(s) and 1 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-Fluoro-5-methylbenzonitrile?
The CAS number of 2-Fluoro-5-methylbenzonitrile is 73069-28-0.
What is the molecular formula of 2-Fluoro-5-methylbenzonitrile?
The molecular formula of 2-Fluoro-5-methylbenzonitrile is C8H6FN.
What is the molecular weight of 2-Fluoro-5-methylbenzonitrile?
The molecular weight of 2-Fluoro-5-methylbenzonitrile is 135.05 g/mol.
Where can I buy 2-Fluoro-5-methylbenzonitrile?
You can request a quote for 2-Fluoro-5-methylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-5-methylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-5-methylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.