2-Fluoro-6-piperidinobenzonitrile
TL;DR: 2-Fluoro-6-piperidinobenzonitrile (CAS 646989-68-6) is a chemical compound with molecular formula C12H13FN2 and molecular weight 204.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-6-piperidin-1-ylbenzonitrile
Also Known As: 2-fluoro-6-piperidinobenzonitrile, 2-fluoro-6-(piperidin-1-yl)benzonitrile, 2-fluoro-6-piperidin-1-ylbenzonitrile, 2-fluoro-6-(1-piperidyl)benzonitrile, 6-fluoro-2-piperidylbenzenecarbonitrile
| Molecular Formula | C12H13FN2 |
|---|---|
| Molecular Weight | 204.11 g/mol |
| LogP | 2.68768 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.10628 |
| Heavy Atoms | 15 |
| Complexity | 389.09885 |
Chemical Identifiers
| CAS Number | 646989-68-6 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C(=CC=C2)F)C#N |
Product Overview
2-Fluoro-6-piperidinobenzonitrile (CAS 646989-68-6), with molecular formula C12H13FN2 and molecular weight 204.11 g/mol. IUPAC: 2-fluoro-6-piperidin-1-ylbenzonitrile.
Chemical Property Profile of 2-Fluoro-6-piperidinobenzonitrile
Property Insights of 2-Fluoro-6-piperidinobenzonitrile
The XLogP value of 2.68768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-6-piperidinobenzonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 2-Fluoro-6-piperidinobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-6-piperidinobenzonitrile 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-Fluoro-6-piperidinobenzonitrile?
The CAS number of 2-Fluoro-6-piperidinobenzonitrile is 646989-68-6.
What is the molecular formula of 2-Fluoro-6-piperidinobenzonitrile?
The molecular formula of 2-Fluoro-6-piperidinobenzonitrile is C12H13FN2.
What is the molecular weight of 2-Fluoro-6-piperidinobenzonitrile?
The molecular weight of 2-Fluoro-6-piperidinobenzonitrile is 204.11 g/mol.
Where can I buy 2-Fluoro-6-piperidinobenzonitrile?
You can request a quote for 2-Fluoro-6-piperidinobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-6-piperidinobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-6-piperidinobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.