3-(Pyridin-3-yl)prop-2-ynoic acid
TL;DR: 3-(Pyridin-3-yl)prop-2-ynoic acid (CAS 59608-01-4) is a chemical compound with molecular formula C8H5NO2 and molecular weight 147.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-ylprop-2-ynoic acid
Also Known As: 3-(Pyridin-3-yl)propiolic acid, 3-(3-Pyridyl)propiolic Acid, 3-(Pyridin-3-yl)prop-2-ynoic acid, 3-pyridin-3-ylprop-2-ynoic acid, pyridin-3-yl-propynoic acid
| Molecular Formula | C8H5NO2 |
|---|---|
| Molecular Weight | 147.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.03203 |
| Heavy Atoms | 11 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 59608-01-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C#CC(=O)O |
| InChIKey | WGCAHZOLQMSYJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Pyridin-3-yl)prop-2-ynoic acid (CAS 59608-01-4), with molecular formula C8H5NO2 and molecular weight 147.03 g/mol. IUPAC: 3-pyridin-3-ylprop-2-ynoic acid.
Chemical Property Profile of 3-(Pyridin-3-yl)prop-2-ynoic acid
Property Insights of 3-(Pyridin-3-yl)prop-2-ynoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyridin-3-yl)prop-2-ynoic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 3-(Pyridin-3-yl)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyridin-3-yl)prop-2-ynoic acid has 1 hydrogen bond donor(s) and 3 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-(Pyridin-3-yl)prop-2-ynoic acid?
The CAS number of 3-(Pyridin-3-yl)prop-2-ynoic acid is 59608-01-4.
What is the molecular formula of 3-(Pyridin-3-yl)prop-2-ynoic acid?
The molecular formula of 3-(Pyridin-3-yl)prop-2-ynoic acid is C8H5NO2.
What is the molecular weight of 3-(Pyridin-3-yl)prop-2-ynoic acid?
The molecular weight of 3-(Pyridin-3-yl)prop-2-ynoic acid is 147.03 g/mol.
Where can I buy 3-(Pyridin-3-yl)prop-2-ynoic acid?
You can request a quote for 3-(Pyridin-3-yl)prop-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyridin-3-yl)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyridin-3-yl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.