3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
TL;DR: 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (CAS 148671-54-9) is a chemical compound with molecular formula C14H9FN2O and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
Also Known As: 2-pyridineacetonitrile, a-(4-fluorobenzoyl)-, 3-(4-fluorophenyl)-3-oxo-2-pyridin-2-yl-propanenitrile, 3-(4-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
| Molecular Formula | C14H9FN2O |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 2.71078 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.06989 |
| Heavy Atoms | 18 |
| Complexity | 587.4411 |
Chemical Identifiers
| CAS Number | 148671-54-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(C#N)C(=O)C2=CC=C(C=C2)F |
Product Overview
3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (CAS 148671-54-9), with molecular formula C14H9FN2O and molecular weight 240.07 g/mol. IUPAC: 3-(4-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile.
Chemical Property Profile of 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
Property Insights of 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
The XLogP value of 2.71078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile. With a topological polar surface area (TPSA) of 53.75 Ų, 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile has 0 hydrogen bond donor(s) and 3 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 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The CAS number of 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is 148671-54-9.
What is the molecular formula of 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The molecular formula of 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is C14H9FN2O.
What is the molecular weight of 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The molecular weight of 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is 240.07 g/mol.
Where can I buy 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
You can request a quote for 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.