4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile
TL;DR: 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile (CAS 303986-30-3) is a chemical compound with molecular formula C12H12N4 and molecular weight 212.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-2-pyrrol-1-ylpyridine-3-carbonitrile
Also Known As: 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile, 4-(dimethylamino)-2-pyrrol-1-ylpyridine-3-carbonitrile, 11M-009, 4-(dimethylamino)-2-(1H-pyrrol-1-yl)pyridine-3-carbonitrile, 4-dimethylamino-2-pyrrol-1-yl-pyridine-3-carbonitrile
| Molecular Formula | C12H12N4 |
|---|---|
| Molecular Weight | 212.11 g/mol |
| LogP | 1.80998 |
| Topological Polar Surface Area | 44.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.1062 |
| Heavy Atoms | 16 |
| Complexity | 520.44696 |
Chemical Identifiers
| CAS Number | 303986-30-3 |
|---|---|
| SMILES | CN(C)C1=C(C(=NC=C1)N2C=CC=C2)C#N |
Product Overview
4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile (CAS 303986-30-3), with molecular formula C12H12N4 and molecular weight 212.11 g/mol. IUPAC: 4-(dimethylamino)-2-pyrrol-1-ylpyridine-3-carbonitrile.
Chemical Property Profile of 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile
Property Insights of 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile
The XLogP value of 1.80998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile. With a topological polar surface area (TPSA) of 44.85 Ų, 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile 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-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile?
The CAS number of 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile is 303986-30-3.
What is the molecular formula of 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile?
The molecular formula of 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile is C12H12N4.
What is the molecular weight of 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile?
The molecular weight of 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile is 212.11 g/mol.
Where can I buy 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile?
You can request a quote for 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(dimethylamino)-2-(1H-pyrrol-1-yl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.