3-Isobutyl pyridine
TL;DR: 3-Isobutyl pyridine (CAS 14159-61-6) is a chemical compound with molecular formula C9H13N and molecular weight 135.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)pyridine
Also Known As: 3-Isobutylpyridine, 3-(2-Methylpropyl)pyridine, 3-isobutyl pyridine, Pyridine, 3-(2-methylpropyl)-, beta-Isobutylpyridine
| Molecular Formula | C9H13N |
|---|---|
| Molecular Weight | 135.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.1048 |
| Heavy Atoms | 10 |
| Complexity | 88.0 |
| Boiling Point | 68.00 to 69.00 °C. @ 8.00 mm Hg |
| Density | 0.898-0.904 |
| Solubility | Insoluble in water |
| Refractive Index | 1.488-1.494 |
Chemical Identifiers
| CAS Number | 14159-61-6 |
|---|---|
| SMILES | CC(C)CC1=CN=CC=C1 |
| InChIKey | DEGXTCKEZCCZOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isobutyl pyridine (CAS 14159-61-6), with molecular formula C9H13N and molecular weight 135.10 g/mol. IUPAC: 3-(2-methylpropyl)pyridine.
Chemical Property Profile of 3-Isobutyl pyridine
Property Insights of 3-Isobutyl pyridine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isobutyl pyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 3-Isobutyl pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isobutyl pyridine has 0 hydrogen bond donor(s) and 1 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 3-Isobutyl pyridine?
The CAS number of 3-Isobutyl pyridine is 14159-61-6.
What is the molecular formula of 3-Isobutyl pyridine?
The molecular formula of 3-Isobutyl pyridine is C9H13N.
What is the molecular weight of 3-Isobutyl pyridine?
The molecular weight of 3-Isobutyl pyridine is 135.10 g/mol.
Where can I buy 3-Isobutyl pyridine?
You can request a quote for 3-Isobutyl pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isobutyl pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutyl pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.