3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-
TL;DR: 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- (CAS 99902-74-6) is a chemical compound with molecular formula C12H7FN2O and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-fluorophenoxy)pyridine-3-carbonitrile
Also Known As: 6-(4-fluorophenoxy)pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-, 6-(4-fluorophenoxy)nicotinonitrile
| Molecular Formula | C12H7FN2O |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.05424 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 99902-74-6 |
|---|---|
| SMILES | C1=CC(=CC=C1OC2=NC=C(C=C2)C#N)F |
| InChIKey | MKYJXKKMJYOEGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- (CAS 99902-74-6), with molecular formula C12H7FN2O and molecular weight 214.05 g/mol. IUPAC: 6-(4-fluorophenoxy)pyridine-3-carbonitrile.
Chemical Property Profile of 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-
Property Insights of 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-. With a topological polar surface area (TPSA) of 45.9 Ų, 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- has 0 hydrogen bond donor(s) and 4 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-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-?
The CAS number of 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- is 99902-74-6.
What is the molecular formula of 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-?
The molecular formula of 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- is C12H7FN2O.
What is the molecular weight of 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-?
The molecular weight of 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- is 214.05 g/mol.
Where can I buy 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-?
You can request a quote for 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarbonitrile, 6-(4-fluorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.