3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester
TL;DR: 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester (CAS 162828-18-4) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylate
Also Known As: 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester, Methyl 3-cyano-2,6-dimethyl-4-(2-nitrophenyl)pyridine-5-carboxylate, Methyl 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-3-pyridinecarboxylate, methyl 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)pyridine-3-carboxylate, Methyl 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)nicotinate
Technical Specifications
| Molecular Formula | C16H13N3O4 |
| Molecular Weight | 311.0906 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0906 Da |
| Heavy Atoms | 23 |
| Complexity | 509.0 |
| SMILES | CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C#N |
| InChIKey | SRBZUTFGDOFIEM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester
Property Insights of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester?
The CAS number of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester is 162828-18-4.
What is the molecular formula of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester?
The molecular formula of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester is C16H13N3O4.
What is the molecular weight of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester?
The molecular weight of 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester is 311.0906 g/mol.
Where can I buy 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester?
You can request a quote for 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Pyridinecarboxylic acid, 5-cyano-2,6-dimethyl-4-(2-nitrophenyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.