5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 338954-76-0) is a chemical compound with molecular formula C12H7ClN2O and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 5-(3-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 5-(3-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile, 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile, 5-(3-chlorophenyl)-2-keto-1H-pyridine-3-carbonitrile, 5-(3-chlorophenyl)-2-oxidanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C12H7ClN2O |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.56698 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.02469 |
| Heavy Atoms | 16 |
| Complexity | 625.40125 |
Chemical Identifiers
| CAS Number | 338954-76-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=CNC(=O)C(=C2)C#N |
Product Overview
5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 338954-76-0), with molecular formula C12H7ClN2O and molecular weight 230.02 g/mol. IUPAC: 5-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 2.56698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile has 1 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-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 338954-76-0.
What is the molecular formula of 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is C12H7ClN2O.
What is the molecular weight of 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 230.02 g/mol.
Where can I buy 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.