4-氯吡啶
TL;DR: 4-氯吡啶 (CAS 626-61-9) is a chemical compound with molecular formula C5H4ClN and molecular weight 113.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯吡啶
4-chloropyridine
Also Known As: 4-CHLOROPYRIDINE, Pyridine, 4-chloro-, 4-chloro-pyridine, p-Chloropyridine, parachloropyridine
| Molecular Formula | C5H4ClN |
|---|---|
| Molecular Weight | 113.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.00323 |
| Heavy Atoms | 7 |
| Complexity | 50.0 |
| Melting Point | -43.5 °C |
| Boiling Point | 151 °C |
| Density | 1.2000 g/cu cm at 25 °C |
| Solubility | Slightly soluble in water |
Chemical Identifiers
| CAS Number | 626-61-9 |
|---|---|
| SMILES | C1=CN=CC=C1Cl |
| InChIKey | PVMNPAUTCMBOMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯吡啶 (CAS 626-61-9), with molecular formula C5H4ClN and molecular weight 113.00 g/mol. IUPAC: 4-chloropyridine.
Chemical Property Profile of 4-氯吡啶
Property Insights of 4-氯吡啶
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯吡啶. With a topological polar surface area (TPSA) of 12.9 Ų, 4-氯吡啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯吡啶 has 0 hydrogen bond donor(s) and 1 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-氯吡啶?
The CAS number of 4-氯吡啶 is 626-61-9.
What is the molecular formula of 4-氯吡啶?
The molecular formula of 4-氯吡啶 is C5H4ClN.
What is the molecular weight of 4-氯吡啶?
The molecular weight of 4-氯吡啶 is 113.00 g/mol.
Where can I buy 4-氯吡啶?
You can request a quote for 4-氯吡啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯吡啶?
Yes, KEHONG BIO provides custom synthesis services for 4-氯吡啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.