2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile
TL;DR: 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile (CAS 338411-83-9) is a chemical compound with molecular formula C12H8N4O and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile
Also Known As: 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile, 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxypyridine-3-carbonitrile, 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile, 2-(2-cyanopyrrol-1-yl)-4-methoxy-pyridine-3-carbonitrile
| Molecular Formula | C12H8N4O |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.62426 |
| Topological Polar Surface Area | 74.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.06981 |
| Heavy Atoms | 17 |
| Complexity | 630.68567 |
Chemical Identifiers
| CAS Number | 338411-83-9 |
|---|---|
| SMILES | COC1=C(C(=NC=C1)N2C=CC=C2C#N)C#N |
Product Overview
2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile (CAS 338411-83-9), with molecular formula C12H8N4O and molecular weight 224.07 g/mol. IUPAC: 2-(2-cyanopyrrol-1-yl)-4-methoxypyridine-3-carbonitrile.
Chemical Property Profile of 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile
Property Insights of 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile
The XLogP value of 1.62426 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile. The TPSA of 74.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile. Following Lipinski's Rule of Five, 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile 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 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile?
The CAS number of 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile is 338411-83-9.
What is the molecular formula of 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile?
The molecular formula of 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile is C12H8N4O.
What is the molecular weight of 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile?
The molecular weight of 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile is 224.07 g/mol.
Where can I buy 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile?
You can request a quote for 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-cyano-1H-pyrrol-1-yl)-4-methoxynicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.