2-Chloro-4-methyl-6-phenylnicotinonitrile
TL;DR: 2-Chloro-4-methyl-6-phenylnicotinonitrile (CAS 112190-09-7) is a chemical compound with molecular formula C13H9ClN2 and molecular weight 228.04543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-4-methyl-6-phenylpyridine-3-carbonitrile
Also Known As: 2-chloro-4-methyl-6-phenylnicotinonitrile, 2-chloro-4-methyl-6-phenylpyridine-3-carbonitrile, chloro-6-phenyl-4-methyl-nicotinonitrile, 2-chloro4-methyl-6-phenyl-nicotinonitrile, 3-Pyridinecarbonitrile, 2-chloro-4-methyl-6-phenyl-
Technical Specifications
| Molecular Formula | C13H9ClN2 |
| Molecular Weight | 228.04543 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.04543 Da |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
| SMILES | CC1=CC(=NC(=C1C#N)Cl)C2=CC=CC=C2 |
| InChIKey | ZVHUQSOEUQZWBF-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-4-methyl-6-phenylnicotinonitrile
Property Insights of 2-Chloro-4-methyl-6-phenylnicotinonitrile
The XLogP value of 3.6 indicates that 2-Chloro-4-methyl-6-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.7 Ų, 2-Chloro-4-methyl-6-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-methyl-6-phenylnicotinonitrile 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
What is the CAS number of 2-Chloro-4-methyl-6-phenylnicotinonitrile?
The CAS number of 2-Chloro-4-methyl-6-phenylnicotinonitrile is 112190-09-7.
What is the molecular formula of 2-Chloro-4-methyl-6-phenylnicotinonitrile?
The molecular formula of 2-Chloro-4-methyl-6-phenylnicotinonitrile is C13H9ClN2.
What is the molecular weight of 2-Chloro-4-methyl-6-phenylnicotinonitrile?
The molecular weight of 2-Chloro-4-methyl-6-phenylnicotinonitrile is 228.04543 g/mol.
Where can I buy 2-Chloro-4-methyl-6-phenylnicotinonitrile?
You can request a quote for 2-Chloro-4-methyl-6-phenylnicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-4-methyl-6-phenylnicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-4-methyl-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.