2-(4-Chlorophenyl)isonicotinic acid
TL;DR: 2-(4-Chlorophenyl)isonicotinic acid (CAS 500586-44-7) is a chemical compound with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)pyridine-4-carboxylic acid
Also Known As: 2-(4-CHLOROPHENYL)ISONICOTINIC ACID, 2-(4-Chlorophenyl)-isonicotinic acid, 2-(4-chlorophenyl)pyridine-4-carboxylic acid, 2-(2,4-Difluorophenyl)-isonicotinic acid, 2-(4-Chlorophenyl)-isonicotinicacid
| Molecular Formula | C12H8ClNO2 |
|---|---|
| Molecular Weight | 233.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.02435 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 500586-44-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=CC(=C2)C(=O)O)Cl |
| InChIKey | BRBHDPCWBZWZTP-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)isonicotinic acid (CAS 500586-44-7), with molecular formula C12H8ClNO2 and molecular weight 233.02 g/mol. IUPAC: 2-(4-chlorophenyl)pyridine-4-carboxylic acid.
Chemical Property Profile of 2-(4-Chlorophenyl)isonicotinic acid
Property Insights of 2-(4-Chlorophenyl)isonicotinic acid
The XLogP value of 3.0 indicates that 2-(4-Chlorophenyl)isonicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 2-(4-Chlorophenyl)isonicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)isonicotinic acid has 1 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-(4-Chlorophenyl)isonicotinic acid?
The CAS number of 2-(4-Chlorophenyl)isonicotinic acid is 500586-44-7.
What is the molecular formula of 2-(4-Chlorophenyl)isonicotinic acid?
The molecular formula of 2-(4-Chlorophenyl)isonicotinic acid is C12H8ClNO2.
What is the molecular weight of 2-(4-Chlorophenyl)isonicotinic acid?
The molecular weight of 2-(4-Chlorophenyl)isonicotinic acid is 233.02 g/mol.
Where can I buy 2-(4-Chlorophenyl)isonicotinic acid?
You can request a quote for 2-(4-Chlorophenyl)isonicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)isonicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)isonicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.