1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
TL;DR: 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile (CAS 1228070-74-3) is a chemical compound with molecular formula C14H13FN2O and molecular weight 244.1012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile
Also Known As: 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile, 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile, 4M-917, fluorobenzylmethyloxotetrahydropyridinecarbonitrile, 1-[(4-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carbonitrile
Technical Specifications
| Molecular Formula | C14H13FN2O |
| Molecular Weight | 244.1012 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.1012 Da |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
| SMILES | CC1=C(CCC(=O)N1CC2=CC=C(C=C2)F)C#N |
| InChIKey | BCQCYVGZSYLQHC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
Property Insights of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile 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
What is the CAS number of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The CAS number of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 1228070-74-3.
What is the molecular formula of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular formula of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is C14H13FN2O.
What is the molecular weight of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
The molecular weight of 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile is 244.1012 g/mol.
Where can I buy 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
You can request a quote for 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 1-(4-Fluorobenzyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.