3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide
TL;DR: 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide (CAS 72989-57-2) is a chemical compound with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-pyridin-3-ylmethylideneamino] formate
Also Known As: 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide, RefChem:1068649, BRN 1449012
| Molecular Formula | C7H6N2O2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | 0.5885 |
| Topological Polar Surface Area | 51.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.04292 |
| Heavy Atoms | 11 |
| Complexity | 245.8773 |
Chemical Identifiers
| CAS Number | 72989-57-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=N/OC=O |
Product Overview
3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide (CAS 72989-57-2), with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol. IUPAC: [(E)-pyridin-3-ylmethylideneamino] formate.
Chemical Property Profile of 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide
Property Insights of 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide
The XLogP value of 0.5885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide. With a topological polar surface area (TPSA) of 51.55 Ų, 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide has 0 hydrogen bond donor(s) and 4 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-methyloxime, 1-oxide?
The CAS number of 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide is 72989-57-2.
What is the molecular formula of 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide?
The molecular formula of 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide is C7H6N2O2.
What is the molecular weight of 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide?
The molecular weight of 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide is 150.04 g/mol.
Where can I buy 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide?
You can request a quote for 3-Pyridinecarboxaldehyde, O-methyloxime, 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, O-methyloxime, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxaldehyde, O-methyloxime, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.