2-(Dicyanomethyl)pyridin-3-yl acetate
TL;DR: 2-(Dicyanomethyl)pyridin-3-yl acetate (CAS 69539-63-5) is a chemical compound with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dicyanomethyl)-3-pyridinyl] acetate
Also Known As: 3-acetoxypyridine-2-malononitrile, 2-(Dicyanomethyl)pyridin-3-yl acetate, [2-(dicyanomethyl)pyridin-3-yl] acetate
| Molecular Formula | C10H7N3O2 |
|---|---|
| Molecular Weight | 201.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.05383 |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 69539-63-5 |
|---|---|
| SMILES | CC(=O)OC1=C(N=CC=C1)C(C#N)C#N |
| InChIKey | GXOVWLVFYAGVCH-UHFFFAOYSA-N |
Product Overview
2-(Dicyanomethyl)pyridin-3-yl acetate (CAS 69539-63-5), with molecular formula C10H7N3O2 and molecular weight 201.05 g/mol. IUPAC: [2-(dicyanomethyl)-3-pyridinyl] acetate.
Chemical Property Profile of 2-(Dicyanomethyl)pyridin-3-yl acetate
Property Insights of 2-(Dicyanomethyl)pyridin-3-yl acetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dicyanomethyl)pyridin-3-yl acetate. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dicyanomethyl)pyridin-3-yl acetate. Following Lipinski's Rule of Five, 2-(Dicyanomethyl)pyridin-3-yl acetate has 0 hydrogen bond donor(s) and 5 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 2-(Dicyanomethyl)pyridin-3-yl acetate?
The CAS number of 2-(Dicyanomethyl)pyridin-3-yl acetate is 69539-63-5.
What is the molecular formula of 2-(Dicyanomethyl)pyridin-3-yl acetate?
The molecular formula of 2-(Dicyanomethyl)pyridin-3-yl acetate is C10H7N3O2.
What is the molecular weight of 2-(Dicyanomethyl)pyridin-3-yl acetate?
The molecular weight of 2-(Dicyanomethyl)pyridin-3-yl acetate is 201.05 g/mol.
Where can I buy 2-(Dicyanomethyl)pyridin-3-yl acetate?
You can request a quote for 2-(Dicyanomethyl)pyridin-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dicyanomethyl)pyridin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dicyanomethyl)pyridin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.