5-Ethynylpyridine-2-carboxylic acid
TL;DR: 5-Ethynylpyridine-2-carboxylic acid (CAS 17880-57-8) 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.
5-ethynylpyridine-2-carboxylic acid
Also Known As: 5-ethynylpicolinic acid, 5-ethynylpyridine-2-carboxylic acid, 5-ethynylpicolinicacid, 2-Pyridinecarboxylic acid, 5-ethynyl-, 5-Ethynyl-2-pyridinecarboxylic 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 | 2 |
| Exact Mass | 147.03203 |
| Heavy Atoms | 11 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 17880-57-8 |
|---|---|
| SMILES | C#CC1=CN=C(C=C1)C(=O)O |
| InChIKey | ZCSPZVBBZKXFHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethynylpyridine-2-carboxylic acid (CAS 17880-57-8), with molecular formula C8H5NO2 and molecular weight 147.03 g/mol. IUPAC: 5-ethynylpyridine-2-carboxylic acid.
Chemical Property Profile of 5-Ethynylpyridine-2-carboxylic acid
Property Insights of 5-Ethynylpyridine-2-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethynylpyridine-2-carboxylic acid. With a topological polar surface area (TPSA) of 50.2 Ų, 5-Ethynylpyridine-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethynylpyridine-2-carboxylic 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 5-Ethynylpyridine-2-carboxylic acid?
The CAS number of 5-Ethynylpyridine-2-carboxylic acid is 17880-57-8.
What is the molecular formula of 5-Ethynylpyridine-2-carboxylic acid?
The molecular formula of 5-Ethynylpyridine-2-carboxylic acid is C8H5NO2.
What is the molecular weight of 5-Ethynylpyridine-2-carboxylic acid?
The molecular weight of 5-Ethynylpyridine-2-carboxylic acid is 147.03 g/mol.
Where can I buy 5-Ethynylpyridine-2-carboxylic acid?
You can request a quote for 5-Ethynylpyridine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethynylpyridine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethynylpyridine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.