2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile
TL;DR: 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile (CAS 339016-81-8) is a chemical compound with molecular formula C14H13ClN4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-4-(dimethylamino)pyridine-3-carbonitrile
Also Known As: 2-(4-chloroanilino)-4-(dimethylamino)nicotinonitrile, 2-[(4-chlorophenyl)amino]-4-(dimethylamino)pyridine-3-carbonitrile, 2-(4-chloroanilino)-4-(dimethylamino)pyridine-3-carbonitrile, 7M-051, 2-[(4-chlorophenyl)amino]-4-dimethylamino-pyridine-3-carbonitrile
| Molecular Formula | C14H13ClN4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.41628 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0829 |
| Heavy Atoms | 19 |
| Complexity | 614.3334 |
Chemical Identifiers
| CAS Number | 339016-81-8 |
|---|---|
| SMILES | CN(C)C1=C(C(=NC=C1)NC2=CC=C(C=C2)Cl)C#N |
Product Overview
2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile (CAS 339016-81-8), with molecular formula C14H13ClN4 and molecular weight 272.08 g/mol. IUPAC: 2-(4-chloroanilino)-4-(dimethylamino)pyridine-3-carbonitrile.
Chemical Property Profile of 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile
Property Insights of 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile
The XLogP value of 3.41628 indicates that 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.95 Ų, 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile has 1 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 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile?
The CAS number of 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile is 339016-81-8.
What is the molecular formula of 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile?
The molecular formula of 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile is C14H13ClN4.
What is the molecular weight of 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile?
The molecular weight of 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile is 272.08 g/mol.
Where can I buy 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile?
You can request a quote for 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloroanilino)-4-(dimethylamino)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.