6-(1H-pyrrol-1-yl)nicotinonitrile
TL;DR: 6-(1H-pyrrol-1-yl)nicotinonitrile (CAS 218157-81-4) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pyrrol-1-ylpyridine-3-carbonitrile
Also Known As: 6-(1H-pyrrol-1-yl)nicotinonitrile, pyrrolylnicotinonitrile, 6-pyrrol-1-ylpyridine-3-carbonitrile, Bionet2_001629, 6-(1H-pyrrol-1-yl)pyridine-3-carbonitrile
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 1.74398 |
| Topological Polar Surface Area | 41.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 420.19345 |
Chemical Identifiers
| CAS Number | 218157-81-4 |
|---|---|
| SMILES | C1=CN(C=C1)C2=NC=C(C=C2)C#N |
Product Overview
6-(1H-pyrrol-1-yl)nicotinonitrile (CAS 218157-81-4), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: 6-pyrrol-1-ylpyridine-3-carbonitrile.
Chemical Property Profile of 6-(1H-pyrrol-1-yl)nicotinonitrile
Property Insights of 6-(1H-pyrrol-1-yl)nicotinonitrile
The XLogP value of 1.74398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1H-pyrrol-1-yl)nicotinonitrile. With a topological polar surface area (TPSA) of 41.61 Ų, 6-(1H-pyrrol-1-yl)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(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-(1H-pyrrol-1-yl)nicotinonitrile?
The CAS number of 6-(1H-pyrrol-1-yl)nicotinonitrile is 218157-81-4.
What is the molecular formula of 6-(1H-pyrrol-1-yl)nicotinonitrile?
The molecular formula of 6-(1H-pyrrol-1-yl)nicotinonitrile is C10H7N3.
What is the molecular weight of 6-(1H-pyrrol-1-yl)nicotinonitrile?
The molecular weight of 6-(1H-pyrrol-1-yl)nicotinonitrile is 169.06 g/mol.
Where can I buy 6-(1H-pyrrol-1-yl)nicotinonitrile?
You can request a quote for 6-(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-(1H-pyrrol-1-yl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1H-pyrrol-1-yl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.