5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid
TL;DR: 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid (CAS 17880-58-9) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxy-3-methylbut-1-ynyl)pyridine-2-carboxylic acid
Also Known As: 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid, 5-(3-Hydroxy-3-methyl-1-butynyl)pyridine-2-carboxylic acid, 5-(3-hydroxy-3-methylbut-1-yn-1-yl)pyridine-2-carboxylic acid, 5-(3-Hydroxy-3-methyl-1-butynyl)-2-pyridinecarboxylic acid #, 5-(3-hydroxy-3-methylbut-1-ynyl)pyridine-2-carboxylic acid
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 17880-58-9 |
|---|---|
| SMILES | CC(C)(C#CC1=CN=C(C=C1)C(=O)O)O |
| InChIKey | ATARGFQQXZRVJR-UHFFFAOYSA-N |
Product Overview
5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid (CAS 17880-58-9), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: 5-(3-hydroxy-3-methylbut-1-ynyl)pyridine-2-carboxylic acid.
Chemical Property Profile of 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid
Property Insights of 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid. Following Lipinski's Rule of Five, 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid has 2 hydrogen bond donor(s) and 4 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-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid?
The CAS number of 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid is 17880-58-9.
What is the molecular formula of 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid?
The molecular formula of 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid is C11H11NO3.
What is the molecular weight of 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid?
The molecular weight of 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid is 205.07 g/mol.
Where can I buy 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid?
You can request a quote for 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Hydroxy-3-methylbutyn-1-yl)-2-pyridinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.