3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride
TL;DR: 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride (CAS 72989-59-4) is a chemical compound with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-ethoxy-1-pyridin-3-ylmethanimine;hydrochloride
Also Known As: 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride, RefChem:1068648
| Molecular Formula | C8H11ClN2O |
|---|---|
| Molecular Weight | 186.06 g/mol |
| LogP | 1.8738 |
| Topological Polar Surface Area | 34.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.05598 |
| Heavy Atoms | 12 |
| Complexity | 225.7593 |
Chemical Identifiers
| CAS Number | 72989-59-4 |
|---|---|
| SMILES | CCO/N=C/C1=CN=CC=C1.Cl |
Product Overview
3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride (CAS 72989-59-4), with molecular formula C8H11ClN2O and molecular weight 186.06 g/mol. IUPAC: (E)-N-ethoxy-1-pyridin-3-ylmethanimine;hydrochloride.
Chemical Property Profile of 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride
Property Insights of 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride
The XLogP value of 1.8738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride. With a topological polar surface area (TPSA) of 34.48 Ų, 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride has 0 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-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride?
The CAS number of 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride is 72989-59-4.
What is the molecular formula of 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride?
The molecular formula of 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride is C8H11ClN2O.
What is the molecular weight of 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride?
The molecular weight of 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride is 186.06 g/mol.
Where can I buy 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride?
You can request a quote for 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxaldehyde, O-ethyloxime, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.