3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride
TL;DR: 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride (CAS 139885-99-7) is a chemical compound with molecular formula C9H12ClNO2 and molecular weight 201.05565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-ynyl 1,2,3,6-tetrahydropyridine-5-carboxylate;hydrochloride
Also Known As: 2-Propynyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate hydrochloride, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride, prop-2-ynyl 1,2,3,6-tetrahydropyridine-5-carboxylate hydrochloride, Prop-2-yn-1-yl 1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.05565 g/mol |
| XLogP | 0.5043 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.05565 Da |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
| SMILES | C#CCOC(=O)C1=CCCNC1.Cl |
| InChIKey | RGITVBKQVUEHHB-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride
Property Insights of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride
The XLogP value of 0.5043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride?
The CAS number of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride is 139885-99-7.
What is the molecular formula of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride?
The molecular formula of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride is C9H12ClNO2.
What is the molecular weight of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride?
The molecular weight of 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride is 201.05565 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride?
You can request a quote for 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-, 2-propynyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.