3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile
TL;DR: 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile (CAS 286840-91-3) is a chemical compound with molecular formula C8H6Cl2N2O and molecular weight 215.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dichloro-4-oxo-1-pyridinyl)propanenitrile
Also Known As: Maybridge4_003118, 3-(3,5-dichloro-4-oxopyridin-1-yl)propanenitrile, 3-(3,5-dichloro-4-oxo-1,4-dihydropyridin-1-yl)propanenitrile, 3-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)propanenitrile
| Molecular Formula | C8H6Cl2N2O |
|---|---|
| Molecular Weight | 215.99 g/mol |
| LogP | 2.06878 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.98572 |
| Heavy Atoms | 13 |
| Complexity | 379.33554 |
Chemical Identifiers
| CAS Number | 286840-91-3 |
|---|---|
| SMILES | C1=C(C(=O)C(=CN1CCC#N)Cl)Cl |
Product Overview
3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile (CAS 286840-91-3), with molecular formula C8H6Cl2N2O and molecular weight 215.99 g/mol. IUPAC: 3-(3,5-dichloro-4-oxo-1-pyridinyl)propanenitrile.
Chemical Property Profile of 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile
Property Insights of 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile
The XLogP value of 2.06878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile 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-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile?
The CAS number of 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile is 286840-91-3.
What is the molecular formula of 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile?
The molecular formula of 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile is C8H6Cl2N2O.
What is the molecular weight of 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile?
The molecular weight of 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile is 215.99 g/mol.
Where can I buy 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile?
You can request a quote for 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dichloro-4-oxopyridin-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.