3-(6-Methoxy-3-pyridinyl)benzonitrile
TL;DR: 3-(6-Methoxy-3-pyridinyl)benzonitrile (CAS 579474-92-3) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-methoxy-3-pyridinyl)benzonitrile
Also Known As: 3-(6-methoxy-3-pyridinyl)benzonitrile, 3-(6-methoxypyridin-3-yl)benzonitrile, BB 0222837
| Molecular Formula | C13H10N2O |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.62888 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.07932 |
| Heavy Atoms | 16 |
| Complexity | 526.374 |
Chemical Identifiers
| CAS Number | 579474-92-3 |
|---|---|
| SMILES | COC1=NC=C(C=C1)C2=CC=CC(=C2)C#N |
Product Overview
3-(6-Methoxy-3-pyridinyl)benzonitrile (CAS 579474-92-3), with molecular formula C13H10N2O and molecular weight 210.08 g/mol. IUPAC: 3-(6-methoxy-3-pyridinyl)benzonitrile.
Chemical Property Profile of 3-(6-Methoxy-3-pyridinyl)benzonitrile
Property Insights of 3-(6-Methoxy-3-pyridinyl)benzonitrile
The XLogP value of 2.62888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6-Methoxy-3-pyridinyl)benzonitrile. With a topological polar surface area (TPSA) of 45.91 Ų, 3-(6-Methoxy-3-pyridinyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-Methoxy-3-pyridinyl)benzonitrile 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-(6-Methoxy-3-pyridinyl)benzonitrile?
The CAS number of 3-(6-Methoxy-3-pyridinyl)benzonitrile is 579474-92-3.
What is the molecular formula of 3-(6-Methoxy-3-pyridinyl)benzonitrile?
The molecular formula of 3-(6-Methoxy-3-pyridinyl)benzonitrile is C13H10N2O.
What is the molecular weight of 3-(6-Methoxy-3-pyridinyl)benzonitrile?
The molecular weight of 3-(6-Methoxy-3-pyridinyl)benzonitrile is 210.08 g/mol.
Where can I buy 3-(6-Methoxy-3-pyridinyl)benzonitrile?
You can request a quote for 3-(6-Methoxy-3-pyridinyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6-Methoxy-3-pyridinyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Methoxy-3-pyridinyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.