5-Bromonicotinoyl chloride
TL;DR: 5-Bromonicotinoyl chloride (CAS 39620-02-5) is a chemical compound with molecular formula C6H3BrClNO and molecular weight 218.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromopyridine-3-carbonyl chloride
Also Known As: 5-BROMONICOTINOYL CHLORIDE, 5-bromopyridine-3-carbonyl chloride, 5-BROMONICOTINOYLCHLORIDE, Nicergoline Impurity 19, 5-Brom-nicotinoylchlorid
| Molecular Formula | C6H3BrClNO |
|---|---|
| Molecular Weight | 218.91 g/mol |
| LogP | 2.2231 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.90865 |
| Heavy Atoms | 10 |
| Complexity | 263.67966 |
Chemical Identifiers
| CAS Number | 39620-02-5 |
|---|---|
| SMILES | C1=C(C=NC=C1Br)C(=O)Cl |
Product Overview
5-Bromonicotinoyl chloride (CAS 39620-02-5), with molecular formula C6H3BrClNO and molecular weight 218.91 g/mol. IUPAC: 5-bromopyridine-3-carbonyl chloride.
Chemical Property Profile of 5-Bromonicotinoyl chloride
Property Insights of 5-Bromonicotinoyl chloride
The XLogP value of 2.2231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromonicotinoyl chloride. With a topological polar surface area (TPSA) of 29.96 Ų, 5-Bromonicotinoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromonicotinoyl chloride has 0 hydrogen bond donor(s) and 2 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 5-Bromonicotinoyl chloride?
The CAS number of 5-Bromonicotinoyl chloride is 39620-02-5.
What is the molecular formula of 5-Bromonicotinoyl chloride?
The molecular formula of 5-Bromonicotinoyl chloride is C6H3BrClNO.
What is the molecular weight of 5-Bromonicotinoyl chloride?
The molecular weight of 5-Bromonicotinoyl chloride is 218.91 g/mol.
Where can I buy 5-Bromonicotinoyl chloride?
You can request a quote for 5-Bromonicotinoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromonicotinoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromonicotinoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.