5-Butylpyridine-2-carbonitrile
TL;DR: 5-Butylpyridine-2-carbonitrile (CAS 39256-40-1) is a chemical compound with molecular formula C10H12N2 and molecular weight 160.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylpyridine-2-carbonitrile
Also Known As: 5-butylpyridine-2-carbonitrile, 5-n-butyl-2-cyanopyridine, 2-Pyridinecarbonitrile,5-butyl-, 5-butyl-2-pyridinecarbonitrile, 5-butyl-pyridine-2-carbonitrile
| Molecular Formula | C10H12N2 |
|---|---|
| Molecular Weight | 160.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.10005 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 39256-40-1 |
|---|---|
| SMILES | CCCCC1=CN=C(C=C1)C#N |
| InChIKey | VRVNMOVNIOVKTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Butylpyridine-2-carbonitrile (CAS 39256-40-1), with molecular formula C10H12N2 and molecular weight 160.10 g/mol. IUPAC: 5-butylpyridine-2-carbonitrile.
Chemical Property Profile of 5-Butylpyridine-2-carbonitrile
Property Insights of 5-Butylpyridine-2-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Butylpyridine-2-carbonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 5-Butylpyridine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butylpyridine-2-carbonitrile 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 5-Butylpyridine-2-carbonitrile?
The CAS number of 5-Butylpyridine-2-carbonitrile is 39256-40-1.
What is the molecular formula of 5-Butylpyridine-2-carbonitrile?
The molecular formula of 5-Butylpyridine-2-carbonitrile is C10H12N2.
What is the molecular weight of 5-Butylpyridine-2-carbonitrile?
The molecular weight of 5-Butylpyridine-2-carbonitrile is 160.10 g/mol.
Where can I buy 5-Butylpyridine-2-carbonitrile?
You can request a quote for 5-Butylpyridine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Butylpyridine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Butylpyridine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.