3-Acetonylpyridine
TL;DR: 3-Acetonylpyridine (CAS 69966-56-9) 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-pyridin-3-ylpropan-2-one
Also Known As: 1-(pyridin-3-yl)propan-2-one, 3-Acetonylpyridine, 1-pyridin-3-ylpropan-2-one, 3-PYRIDINYLACETONE, 1-(3-Pyridyl)acetone
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 69966-56-9 |
|---|---|
| SMILES | CC(=O)CC1=CN=CC=C1 |
| InChIKey | WPDJRDYNRNXPBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetonylpyridine (CAS 69966-56-9), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 1-pyridin-3-ylpropan-2-one.
Chemical Property Profile of 3-Acetonylpyridine
Property Insights of 3-Acetonylpyridine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetonylpyridine. With a topological polar surface area (TPSA) of 30.0 Ų, 3-Acetonylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetonylpyridine 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 3-Acetonylpyridine?
The CAS number of 3-Acetonylpyridine is 69966-56-9.
What is the molecular formula of 3-Acetonylpyridine?
The molecular formula of 3-Acetonylpyridine is C8H9NO.
What is the molecular weight of 3-Acetonylpyridine?
The molecular weight of 3-Acetonylpyridine is 135.07 g/mol.
Where can I buy 3-Acetonylpyridine?
You can request a quote for 3-Acetonylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetonylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetonylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.