1-(5-Methylpyridin-3-yl)ethan-1-one
TL;DR: 1-(5-Methylpyridin-3-yl)ethan-1-one (CAS 42972-46-3) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-3-pyridinyl)ethanone
Also Known As: 1-(5-methylpyridin-3-yl)ethanone, Ethanone, 1-(5-methyl-3-pyridinyl)-, 1-(5-methylpyridin-3-yl)ethan-1-one, 5-Acetyl-2-picoline, 3-acetyl-5-methylpyridine
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 42972-46-3 |
|---|---|
| SMILES | CC1=CC(=CN=C1)C(=O)C |
| InChIKey | DIASEPULVQSMAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Methylpyridin-3-yl)ethan-1-one (CAS 42972-46-3), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 1-(5-methyl-3-pyridinyl)ethanone.
Chemical Property Profile of 1-(5-Methylpyridin-3-yl)ethan-1-one
Property Insights of 1-(5-Methylpyridin-3-yl)ethan-1-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methylpyridin-3-yl)ethan-1-one. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(5-Methylpyridin-3-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Methylpyridin-3-yl)ethan-1-one 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 1-(5-Methylpyridin-3-yl)ethan-1-one?
The CAS number of 1-(5-Methylpyridin-3-yl)ethan-1-one is 42972-46-3.
What is the molecular formula of 1-(5-Methylpyridin-3-yl)ethan-1-one?
The molecular formula of 1-(5-Methylpyridin-3-yl)ethan-1-one is C8H9NO.
What is the molecular weight of 1-(5-Methylpyridin-3-yl)ethan-1-one?
The molecular weight of 1-(5-Methylpyridin-3-yl)ethan-1-one is 135.07 g/mol.
Where can I buy 1-(5-Methylpyridin-3-yl)ethan-1-one?
You can request a quote for 1-(5-Methylpyridin-3-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methylpyridin-3-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methylpyridin-3-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.