3-Pyridinecarboxylic acid, hydrochloride (1:1)
TL;DR: 3-Pyridinecarboxylic acid, hydrochloride (1:1) (CAS 636-79-3) is a chemical compound with molecular formula C6H6ClNO2 and molecular weight 159.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyridine-3-carboxylic acid;hydrochloride
Also Known As: Niacin hydrochloride, Nicotinic acid hydrochloride, Niacin HCl, nicotinic acid, Niacin (hydrochloride)
| Molecular Formula | C6H6ClNO2 |
|---|---|
| Molecular Weight | 159.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.00871 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 636-79-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)O.Cl |
| InChIKey | IBTWUVRCFHJPKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pyridinecarboxylic acid, hydrochloride (1:1) (CAS 636-79-3), with molecular formula C6H6ClNO2 and molecular weight 159.01 g/mol. IUPAC: pyridine-3-carboxylic acid;hydrochloride.
Chemical Property Profile of 3-Pyridinecarboxylic acid, hydrochloride (1:1)
Property Insights of 3-Pyridinecarboxylic acid, hydrochloride (1:1)
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, hydrochloride (1:1). With a topological polar surface area (TPSA) of 50.2 Ų, 3-Pyridinecarboxylic acid, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, hydrochloride (1:1) 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
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, hydrochloride (1:1)?
The CAS number of 3-Pyridinecarboxylic acid, hydrochloride (1:1) is 636-79-3.
What is the molecular formula of 3-Pyridinecarboxylic acid, hydrochloride (1:1)?
The molecular formula of 3-Pyridinecarboxylic acid, hydrochloride (1:1) is C6H6ClNO2.
What is the molecular weight of 3-Pyridinecarboxylic acid, hydrochloride (1:1)?
The molecular weight of 3-Pyridinecarboxylic acid, hydrochloride (1:1) is 159.01 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, hydrochloride (1:1)?
You can request a quote for 3-Pyridinecarboxylic acid, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.