2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile
TL;DR: 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile (CAS 147992-80-1) is a chemical compound with molecular formula C8H8ClN3 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(dimethylamino)pyridine-3-carbonitrile
Also Known As: 2-chloro-4-(dimethylamino)nicotinonitrile, 2-chloro-4-(dimethylamino)pyridine-3-carbonitrile, chlorodimethylaminonicotinonitrile, 3-Pyridinecarbonitrile, 2-chloro-4-(dimethylamino)-, 2-chloro-4-dimethylaminonicotinonitrile
| Molecular Formula | C8H8ClN3 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.04068 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 147992-80-1 |
|---|---|
| SMILES | CN(C)C1=C(C(=NC=C1)Cl)C#N |
| InChIKey | CAMVNWAYWUPMTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile (CAS 147992-80-1), with molecular formula C8H8ClN3 and molecular weight 181.04 g/mol. IUPAC: 2-chloro-4-(dimethylamino)pyridine-3-carbonitrile.
Chemical Property Profile of 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile
Property Insights of 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 39.9 Ų, 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 3 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-Chloro-4-(dimethylamino)pyridine-3-carbonitrile?
The CAS number of 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile is 147992-80-1.
What is the molecular formula of 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile?
The molecular formula of 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile is C8H8ClN3.
What is the molecular weight of 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile?
The molecular weight of 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile is 181.04 g/mol.
Where can I buy 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile?
You can request a quote for 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(dimethylamino)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.