2-(4,6-Dichloropyridin-3-yl)acetonitrile
TL;DR: 2-(4,6-Dichloropyridin-3-yl)acetonitrile (CAS 199283-52-8) is a chemical compound with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dichloro-3-pyridinyl)acetonitrile
Also Known As: 2-(4,6-dichloropyridin-3-yl)acetonitrile, 3-Pyridineacetonitrile, 4,6-dichloro-, 4,6-DICHLOROPYRIDINE-3-ACETONITRILE, 2-(4,6-dichloro-3-pyridyl)acetonitrile, 4,6-Dichloro-3-pyridinacetonitrile
| Molecular Formula | C7H4Cl2N2 |
|---|---|
| Molecular Weight | 185.98 g/mol |
| LogP | 2.45448 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.97516 |
| Heavy Atoms | 11 |
| Complexity | 303.79916 |
Chemical Identifiers
| CAS Number | 199283-52-8 |
|---|---|
| SMILES | C1=C(C(=CN=C1Cl)CC#N)Cl |
Product Overview
2-(4,6-Dichloropyridin-3-yl)acetonitrile (CAS 199283-52-8), with molecular formula C7H4Cl2N2 and molecular weight 185.98 g/mol. IUPAC: 2-(4,6-dichloro-3-pyridinyl)acetonitrile.
Chemical Property Profile of 2-(4,6-Dichloropyridin-3-yl)acetonitrile
Property Insights of 2-(4,6-Dichloropyridin-3-yl)acetonitrile
The XLogP value of 2.45448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,6-Dichloropyridin-3-yl)acetonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(4,6-Dichloropyridin-3-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4,6-Dichloropyridin-3-yl)acetonitrile 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 2-(4,6-Dichloropyridin-3-yl)acetonitrile?
The CAS number of 2-(4,6-Dichloropyridin-3-yl)acetonitrile is 199283-52-8.
What is the molecular formula of 2-(4,6-Dichloropyridin-3-yl)acetonitrile?
The molecular formula of 2-(4,6-Dichloropyridin-3-yl)acetonitrile is C7H4Cl2N2.
What is the molecular weight of 2-(4,6-Dichloropyridin-3-yl)acetonitrile?
The molecular weight of 2-(4,6-Dichloropyridin-3-yl)acetonitrile is 185.98 g/mol.
Where can I buy 2-(4,6-Dichloropyridin-3-yl)acetonitrile?
You can request a quote for 2-(4,6-Dichloropyridin-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,6-Dichloropyridin-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-Dichloropyridin-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.