3-Pyridinecarboxaldehyde, 1-oxide
TL;DR: 3-Pyridinecarboxaldehyde, 1-oxide (CAS 22346-73-2) is a chemical compound with molecular formula C6H5NO2 and molecular weight 123.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidopyridin-1-ium-3-carbaldehyde
Also Known As: 3-Formylpyridine 1-oxide, 3-Picolinaldehyde-N-oxide, 3-Formylpyridine1-oxide, Nicotinaldehyde N-oxide, MEPIROXOL_met011
| Molecular Formula | C6H5NO2 |
|---|---|
| Molecular Weight | 123.03 g/mol |
| LogP | 0.1325 |
| Topological Polar Surface Area | 44.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.03203 |
| Heavy Atoms | 9 |
| Complexity | 222.05278 |
Chemical Identifiers
| CAS Number | 22346-73-2 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)[O-])C=O |
Product Overview
3-Pyridinecarboxaldehyde, 1-oxide (CAS 22346-73-2), with molecular formula C6H5NO2 and molecular weight 123.03 g/mol. IUPAC: 1-oxidopyridin-1-ium-3-carbaldehyde.
Chemical Property Profile of 3-Pyridinecarboxaldehyde, 1-oxide
Property Insights of 3-Pyridinecarboxaldehyde, 1-oxide
The XLogP value of 0.1325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxaldehyde, 1-oxide. With a topological polar surface area (TPSA) of 44.01 Ų, 3-Pyridinecarboxaldehyde, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxaldehyde, 1-oxide has 0 hydrogen bond donor(s) and 2 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, 1-oxide?
The CAS number of 3-Pyridinecarboxaldehyde, 1-oxide is 22346-73-2.
What is the molecular formula of 3-Pyridinecarboxaldehyde, 1-oxide?
The molecular formula of 3-Pyridinecarboxaldehyde, 1-oxide is C6H5NO2.
What is the molecular weight of 3-Pyridinecarboxaldehyde, 1-oxide?
The molecular weight of 3-Pyridinecarboxaldehyde, 1-oxide is 123.03 g/mol.
Where can I buy 3-Pyridinecarboxaldehyde, 1-oxide?
You can request a quote for 3-Pyridinecarboxaldehyde, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxaldehyde, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxaldehyde, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.