2-Bromo-1-(pyridin-4-yl)ethanone
TL;DR: 2-Bromo-1-(pyridin-4-yl)ethanone (CAS 5349-17-7) is a chemical compound with molecular formula C7H6BrNO and molecular weight 198.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-pyridin-4-ylethanone
Also Known As: 2-bromo-1-(pyridin-4-yl)ethanone, 2-bromo-1-pyridin-4-ylethanone, 4-(bromoacetyl)pyridine, 2-bromo-1-(4-pyridyl)ethanone, 4-bromoacetylpyridine
| Molecular Formula | C7H6BrNO |
|---|---|
| Molecular Weight | 198.96 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.96329 |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 5349-17-7 |
|---|---|
| SMILES | C1=CN=CC=C1C(=O)CBr |
| InChIKey | NAFCUKZZHZYPKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-(pyridin-4-yl)ethanone (CAS 5349-17-7), with molecular formula C7H6BrNO and molecular weight 198.96 g/mol. IUPAC: 2-bromo-1-pyridin-4-ylethanone.
Chemical Property Profile of 2-Bromo-1-(pyridin-4-yl)ethanone
Property Insights of 2-Bromo-1-(pyridin-4-yl)ethanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-(pyridin-4-yl)ethanone. With a topological polar surface area (TPSA) of 30.0 Ų, 2-Bromo-1-(pyridin-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-(pyridin-4-yl)ethanone 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 2-Bromo-1-(pyridin-4-yl)ethanone?
The CAS number of 2-Bromo-1-(pyridin-4-yl)ethanone is 5349-17-7.
What is the molecular formula of 2-Bromo-1-(pyridin-4-yl)ethanone?
The molecular formula of 2-Bromo-1-(pyridin-4-yl)ethanone is C7H6BrNO.
What is the molecular weight of 2-Bromo-1-(pyridin-4-yl)ethanone?
The molecular weight of 2-Bromo-1-(pyridin-4-yl)ethanone is 198.96 g/mol.
Where can I buy 2-Bromo-1-(pyridin-4-yl)ethanone?
You can request a quote for 2-Bromo-1-(pyridin-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-(pyridin-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-(pyridin-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.