Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)
TL;DR: Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) (CAS 5959-98-8) is a chemical compound with molecular formula C8H11Cl2N and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-2-methylpyridine;hydrochloride
Also Known As: 2-Picoline, 3-(2-chloroethyl)-, hydrochloride, 3-(2-Chloroethyl)-2-methylpyridine hydrochloride, Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride, 3-(2-chloroethyl)-2-methylpyridine,hydrochloride, 3-(2-Chloroethyl)-2-methylpyridine--hydrogen chloride (1/1)
| Molecular Formula | C8H11Cl2N |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 2.59312 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.02686 |
| Heavy Atoms | 11 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 5959-98-8 |
|---|---|
| SMILES | CC1=C(C=CC=N1)CCCl.Cl |
| InChIKey | INTKTQLQSCYQOR-UHFFFAOYSA-N |
Product Overview
Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) (CAS 5959-98-8), with molecular formula C8H11Cl2N and molecular weight 191.03 g/mol. IUPAC: 3-(2-chloroethyl)-2-methylpyridine;hydrochloride.
Chemical Property Profile of Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)
Property Insights of Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)
The XLogP value of 2.59312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1). With a topological polar surface area (TPSA) of 12.9 Ų, Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) has 1 hydrogen bond donor(s) and 1 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 Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)?
The CAS number of Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) is 5959-98-8.
What is the molecular formula of Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)?
The molecular formula of Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) is C8H11Cl2N.
What is the molecular weight of Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)?
The molecular weight of Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) is 191.03 g/mol.
Where can I buy Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)?
You can request a quote for Pyridine, 3-(2-chloroethyl)-2-methyl-, 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 Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 3-(2-chloroethyl)-2-methyl-, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.