4-(4-Fluorophenyl)-2-methoxynicotinonitrile
TL;DR: 4-(4-Fluorophenyl)-2-methoxynicotinonitrile (CAS 478245-82-8) is a chemical compound with molecular formula C13H9FN2O and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
Also Known As: 4-(4-fluorophenyl)-2-methoxynicotinonitrile, 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile, 4-(4-fluorophenyl)-2-methoxy-pyridine-3-carbonitrile, 3-PYRIDINECARBONITRILE, 4-(4-FLUOROPHENYL)-2-METHOXY-
| Molecular Formula | C13H9FN2O |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 2.76798 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.06989 |
| Heavy Atoms | 17 |
| Complexity | 572.9636 |
Chemical Identifiers
| CAS Number | 478245-82-8 |
|---|---|
| SMILES | COC1=NC=CC(=C1C#N)C2=CC=C(C=C2)F |
Product Overview
4-(4-Fluorophenyl)-2-methoxynicotinonitrile (CAS 478245-82-8), with molecular formula C13H9FN2O and molecular weight 228.07 g/mol. IUPAC: 4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-Fluorophenyl)-2-methoxynicotinonitrile
Property Insights of 4-(4-Fluorophenyl)-2-methoxynicotinonitrile
The XLogP value of 2.76798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluorophenyl)-2-methoxynicotinonitrile. With a topological polar surface area (TPSA) of 45.91 Ų, 4-(4-Fluorophenyl)-2-methoxynicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-2-methoxynicotinonitrile 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 4-(4-Fluorophenyl)-2-methoxynicotinonitrile?
The CAS number of 4-(4-Fluorophenyl)-2-methoxynicotinonitrile is 478245-82-8.
What is the molecular formula of 4-(4-Fluorophenyl)-2-methoxynicotinonitrile?
The molecular formula of 4-(4-Fluorophenyl)-2-methoxynicotinonitrile is C13H9FN2O.
What is the molecular weight of 4-(4-Fluorophenyl)-2-methoxynicotinonitrile?
The molecular weight of 4-(4-Fluorophenyl)-2-methoxynicotinonitrile is 228.07 g/mol.
Where can I buy 4-(4-Fluorophenyl)-2-methoxynicotinonitrile?
You can request a quote for 4-(4-Fluorophenyl)-2-methoxynicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Fluorophenyl)-2-methoxynicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-2-methoxynicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.