Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate
TL;DR: Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate (CAS 18771-92-1) is a chemical compound with molecular formula C12H14ClN3O2 and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-2-chloro-3-cyano-6-propan-2-ylpyridine-4-carboxylate
Also Known As: ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate, ethyl 5-amino-2-chloro-3-cyano-6-propan-2-ylpyridine-4-carboxylate, 3-amino-6-chloro-5-cyano-2-isopropyl-isonicotinic acid ethyl ester, ethyl 5-amino-2-chloro-3-cyano-6-propan-2-yl-pyridine-4-carboxylate
| Molecular Formula | C12H14ClN3O2 |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.07745 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 18771-92-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NC(=C1N)C(C)C)Cl)C#N |
| InChIKey | IIMQHOMYEKTQBW-UHFFFAOYSA-N |
Product Overview
Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate (CAS 18771-92-1), with molecular formula C12H14ClN3O2 and molecular weight 267.08 g/mol. IUPAC: ethyl 5-amino-2-chloro-3-cyano-6-propan-2-ylpyridine-4-carboxylate.
Chemical Property Profile of Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate
Property Insights of Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate has 1 hydrogen bond donor(s) and 5 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 Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate?
The CAS number of Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate is 18771-92-1.
What is the molecular formula of Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate?
The molecular formula of Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate is C12H14ClN3O2.
What is the molecular weight of Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate?
The molecular weight of Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate is 267.08 g/mol.
Where can I buy Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate?
You can request a quote for Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-6-chloro-5-cyano-2-(propan-2-yl)pyridine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.