3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile
TL;DR: 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile (CAS 62591-19-9) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
Also Known As: 3-(2-furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile, 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile, 2-pyridineacetonitrile, a-(2-furanylcarbonyl)-, (2Z)-3-(2-furanyl)-3-oxo-2-(1H-pyridin-2-ylidene)propanenitrile, (2Z)-3-(2-furyl)-3-keto-2-(1H-pyridin-2-ylidene)propionitrile
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.16468 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 511.70673 |
Chemical Identifiers
| CAS Number | 62591-19-9 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(C#N)C(=O)C2=CC=CO2 |
Product Overview
3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile (CAS 62591-19-9), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile.
Chemical Property Profile of 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile
Property Insights of 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile
The XLogP value of 2.16468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile. Following Lipinski's Rule of Five, 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile 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-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile?
The CAS number of 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile is 62591-19-9.
What is the molecular formula of 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile?
The molecular formula of 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile is C12H8N2O2.
What is the molecular weight of 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile?
The molecular weight of 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile is 212.06 g/mol.
Where can I buy 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile?
You can request a quote for 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Furanyl)-3-oxo-2-(2-pyridinyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.