4-(Cyanomethyl)phenyl 2-chloronicotinate
TL;DR: 4-(Cyanomethyl)phenyl 2-chloronicotinate (CAS 219930-05-9) is a chemical compound with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(cyanomethyl)phenyl] 2-chloropyridine-3-carboxylate
Also Known As: 4-(cyanomethyl)phenyl 2-chloronicotinate, [4-(cyanomethyl)phenyl] 2-chloropyridine-3-carboxylate, 4-(cyanomethyl)phenyl 2-chloropyridine-3-carboxylate, 4-(CYANOMETHYL)PHENYL2-CHLORONICOTINATE, 3-Pyridinecarboxylicacid, 2-chloro-, 4-(cyanomethyl)phenyl ester
| Molecular Formula | C14H9ClN2O2 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 3.02028 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.03525 |
| Heavy Atoms | 19 |
| Complexity | 632.6394 |
Chemical Identifiers
| CAS Number | 219930-05-9 |
|---|---|
| SMILES | C1=CC(=C(N=C1)Cl)C(=O)OC2=CC=C(C=C2)CC#N |
Product Overview
4-(Cyanomethyl)phenyl 2-chloronicotinate (CAS 219930-05-9), with molecular formula C14H9ClN2O2 and molecular weight 272.04 g/mol. IUPAC: [4-(cyanomethyl)phenyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of 4-(Cyanomethyl)phenyl 2-chloronicotinate
Property Insights of 4-(Cyanomethyl)phenyl 2-chloronicotinate
The XLogP value of 3.02028 indicates that 4-(Cyanomethyl)phenyl 2-chloronicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Cyanomethyl)phenyl 2-chloronicotinate. Following Lipinski's Rule of Five, 4-(Cyanomethyl)phenyl 2-chloronicotinate has 0 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 4-(Cyanomethyl)phenyl 2-chloronicotinate?
The CAS number of 4-(Cyanomethyl)phenyl 2-chloronicotinate is 219930-05-9.
What is the molecular formula of 4-(Cyanomethyl)phenyl 2-chloronicotinate?
The molecular formula of 4-(Cyanomethyl)phenyl 2-chloronicotinate is C14H9ClN2O2.
What is the molecular weight of 4-(Cyanomethyl)phenyl 2-chloronicotinate?
The molecular weight of 4-(Cyanomethyl)phenyl 2-chloronicotinate is 272.04 g/mol.
Where can I buy 4-(Cyanomethyl)phenyl 2-chloronicotinate?
You can request a quote for 4-(Cyanomethyl)phenyl 2-chloronicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Cyanomethyl)phenyl 2-chloronicotinate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Cyanomethyl)phenyl 2-chloronicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.