1-(Carboxymethyl)pyridin-1-ium bromide
TL;DR: 1-(Carboxymethyl)pyridin-1-ium bromide (CAS 45811-13-0) is a chemical compound with molecular formula C7H8BrNO2 and molecular weight 216.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-pyridin-1-ium-1-ylacetic acid bromide
Also Known As: 1-(Carboxymethyl)pyridin-1-ium bromide, N-carboxymethylpyridinium bromide, 1-(carboxymethyl)pyridinium bromide, 2-pyridin-1-ium-1-ylacetic acid bromide
| Molecular Formula | C7H8BrNO2 |
|---|---|
| Molecular Weight | 216.97 g/mol |
| LogP | -2.9373 |
| Topological Polar Surface Area | 41.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.97385 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 45811-13-0 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC(=O)O.[Br-] |
| InChIKey | TZWFIGLQGUDMSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Carboxymethyl)pyridin-1-ium bromide (CAS 45811-13-0), with molecular formula C7H8BrNO2 and molecular weight 216.97 g/mol. IUPAC: 2-pyridin-1-ium-1-ylacetic acid bromide.
Chemical Property Profile of 1-(Carboxymethyl)pyridin-1-ium bromide
Property Insights of 1-(Carboxymethyl)pyridin-1-ium bromide
The XLogP value of -2.9373 indicates that 1-(Carboxymethyl)pyridin-1-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.2 Ų, 1-(Carboxymethyl)pyridin-1-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Carboxymethyl)pyridin-1-ium bromide 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 1-(Carboxymethyl)pyridin-1-ium bromide?
The CAS number of 1-(Carboxymethyl)pyridin-1-ium bromide is 45811-13-0.
What is the molecular formula of 1-(Carboxymethyl)pyridin-1-ium bromide?
The molecular formula of 1-(Carboxymethyl)pyridin-1-ium bromide is C7H8BrNO2.
What is the molecular weight of 1-(Carboxymethyl)pyridin-1-ium bromide?
The molecular weight of 1-(Carboxymethyl)pyridin-1-ium bromide is 216.97 g/mol.
Where can I buy 1-(Carboxymethyl)pyridin-1-ium bromide?
You can request a quote for 1-(Carboxymethyl)pyridin-1-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Carboxymethyl)pyridin-1-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Carboxymethyl)pyridin-1-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.