![1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile structure](/static/products/861/861207-79-6.png)
1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
TL;DR: 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 861207-79-6) is a chemical compound with molecular formula C14H12ClN3O and molecular weight 273.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
Also Known As: 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 1-[(6-chloropyridin-3-yl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1X-0874, 1-[(6-chloropyridin-3-yl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile, 1-((6-Chloropyridin-3-yl)methyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C14H12ClN3O |
|---|---|
| Molecular Weight | 273.07 g/mol |
| LogP | 2.43352 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.0669 |
| Heavy Atoms | 19 |
| Complexity | 711.19653 |
Chemical Identifiers
| CAS Number | 861207-79-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1CC2=CN=C(C=C2)Cl)C#N)C |
Product Overview
1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile (CAS 861207-79-6), with molecular formula C14H12ClN3O and molecular weight 273.07 g/mol. IUPAC: 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
Property Insights of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
The XLogP value of 2.43352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-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
Frequently Asked Questions
What is the CAS number of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The CAS number of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 861207-79-6.
What is the molecular formula of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular formula of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is C14H12ClN3O.
What is the molecular weight of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
The molecular weight of 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile is 273.07 g/mol.
Where can I buy 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
You can request a quote for 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-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 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-[(6-chloro-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.