4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile
TL;DR: 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile (CAS 60847-45-2) is a chemical compound with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-oxo-2-pyridin-2-ylbutanenitrile
Also Known As: 4-chloro-3-oxo-2-(pyridin-2-yl)butanenitrile, 2-(2-pyridyl)-3-keto-4-chlorobutyronitrile, 4-chloro-3-oxo-2-pyridin-2-ylbutanenitrile, 4-chloro-3-oxo-2-pyridin-2-yl-butanenitrile
| Molecular Formula | C9H7ClN2O |
|---|---|
| Molecular Weight | 194.02 g/mol |
| LogP | 1.49668 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.02469 |
| Heavy Atoms | 13 |
| Complexity | 331.218 |
Chemical Identifiers
| CAS Number | 60847-45-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)C(C#N)C(=O)CCl |
Product Overview
4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile (CAS 60847-45-2), with molecular formula C9H7ClN2O and molecular weight 194.02 g/mol. IUPAC: 4-chloro-3-oxo-2-pyridin-2-ylbutanenitrile.
Chemical Property Profile of 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile
Property Insights of 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile
The XLogP value of 1.49668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile. With a topological polar surface area (TPSA) of 53.75 Ų, 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile has 0 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 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile?
The CAS number of 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile is 60847-45-2.
What is the molecular formula of 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile?
The molecular formula of 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile is C9H7ClN2O.
What is the molecular weight of 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile?
The molecular weight of 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile is 194.02 g/mol.
Where can I buy 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile?
You can request a quote for 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-oxo-2-pyridin-2-ylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.