5-Ethynyl-2-methylpyridine
TL;DR: 5-Ethynyl-2-methylpyridine (CAS 898751-75-2) is a chemical compound with molecular formula C8H7N and molecular weight 117.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethynyl-2-methylpyridine
Also Known As: 5-ethynyl-2-methylpyridine, 5-ethynyl-2-methyl-pyridine, 2-methyl-5-ethynylpyridine, pyridine, 5-ethynyl-2-methyl-, 2-methyl-5-ethynyl pyridine
| Molecular Formula | C8H7N |
|---|---|
| Molecular Weight | 117.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 117.057846 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 898751-75-2 |
|---|---|
| SMILES | CC1=NC=C(C=C1)C#C |
| InChIKey | NKVINJAPLKEYQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethynyl-2-methylpyridine (CAS 898751-75-2), with molecular formula C8H7N and molecular weight 117.06 g/mol. IUPAC: 5-ethynyl-2-methylpyridine.
Chemical Property Profile of 5-Ethynyl-2-methylpyridine
Property Insights of 5-Ethynyl-2-methylpyridine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethynyl-2-methylpyridine. With a topological polar surface area (TPSA) of 12.9 Ų, 5-Ethynyl-2-methylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethynyl-2-methylpyridine 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 5-Ethynyl-2-methylpyridine?
The CAS number of 5-Ethynyl-2-methylpyridine is 898751-75-2.
What is the molecular formula of 5-Ethynyl-2-methylpyridine?
The molecular formula of 5-Ethynyl-2-methylpyridine is C8H7N.
What is the molecular weight of 5-Ethynyl-2-methylpyridine?
The molecular weight of 5-Ethynyl-2-methylpyridine is 117.06 g/mol.
Where can I buy 5-Ethynyl-2-methylpyridine?
You can request a quote for 5-Ethynyl-2-methylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethynyl-2-methylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethynyl-2-methylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.