5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 338964-11-7) is a chemical compound with molecular formula C13H9ClN2O and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
Also Known As: 5-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile, 5-(3-chlorophenyl)-1-methyl-2-oxo-pyridine-3-carbonitrile, 5-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C13H9ClN2O |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 2.57738 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.04034 |
| Heavy Atoms | 17 |
| Complexity | 667.85016 |
Chemical Identifiers
| CAS Number | 338964-11-7 |
|---|---|
| SMILES | CN1C=C(C=C(C1=O)C#N)C2=CC(=CC=C2)Cl |
Product Overview
5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 338964-11-7), with molecular formula C13H9ClN2O and molecular weight 244.04 g/mol. IUPAC: 5-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 2.57738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 45.79 Ų, 5-(3-Chlorophenyl)-1-methyl-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)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile 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-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 338964-11-7.
What is the molecular formula of 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is C13H9ClN2O.
What is the molecular weight of 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 244.04 g/mol.
Where can I buy 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 5-(3-Chlorophenyl)-1-methyl-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)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.