6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile
TL;DR: 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile (CAS 861207-98-9) is a chemical compound with molecular formula C12H11N3 and molecular weight 197.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,5-dimethylpyrrol-1-yl)pyridine-3-carbonitrile
Also Known As: 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile, 6-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine-3-carbonitrile, 6-(2,5-dimethylpyrrol-1-yl)pyridine-3-carbonitrile, 6-(2,5-dimethyl-1-pyrrolyl)-3-pyridinecarbonitrile, RefChem:306476
| Molecular Formula | C12H11N3 |
|---|---|
| Molecular Weight | 197.10 g/mol |
| LogP | 2.36082 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.09529 |
| Heavy Atoms | 15 |
| Complexity | 495.29053 |
Chemical Identifiers
| CAS Number | 861207-98-9 |
|---|---|
| SMILES | CC1=CC=C(N1C2=NC=C(C=C2)C#N)C |
Product Overview
6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile (CAS 861207-98-9), with molecular formula C12H11N3 and molecular weight 197.10 g/mol. IUPAC: 6-(2,5-dimethylpyrrol-1-yl)pyridine-3-carbonitrile.
Chemical Property Profile of 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile
Property Insights of 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile
The XLogP value of 2.36082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile has 0 hydrogen bond donor(s) and 2 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 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile?
The CAS number of 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile is 861207-98-9.
What is the molecular formula of 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile?
The molecular formula of 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile is C12H11N3.
What is the molecular weight of 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile?
The molecular weight of 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile is 197.10 g/mol.
Where can I buy 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile?
You can request a quote for 6-(2,5-dimethyl-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 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,5-dimethyl-1H-pyrrol-1-yl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.