4-Benzylamino-3-nitropyridine
TL;DR: 4-Benzylamino-3-nitropyridine (CAS 100306-70-5) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.08513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-3-nitropyridin-4-amine
Also Known As: 4-BENZYLAMINO-3-NITROPYRIDINE, N-benzyl-3-nitropyridin-4-amine, 4-(Benzylamino)-3-nitropyridine, N-benzyl-3-nitro-pyridin-4-amine, 3-nitro-N-(phenylmethyl)-4-pyridinamine
Technical Specifications
| Molecular Formula | C12H11N3O2 |
| Molecular Weight | 229.08513 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.08513 Da |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
| SMILES | C1=CC=C(C=C1)CNC2=C(C=NC=C2)[N+](=O)[O-] |
| InChIKey | MEVVLVNFFGTNKY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Benzylamino-3-nitropyridine
Property Insights of 4-Benzylamino-3-nitropyridine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylamino-3-nitropyridine. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzylamino-3-nitropyridine. Following Lipinski's Rule of Five, 4-Benzylamino-3-nitropyridine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Benzylamino-3-nitropyridine?
The CAS number of 4-Benzylamino-3-nitropyridine is 100306-70-5.
What is the molecular formula of 4-Benzylamino-3-nitropyridine?
The molecular formula of 4-Benzylamino-3-nitropyridine is C12H11N3O2.
What is the molecular weight of 4-Benzylamino-3-nitropyridine?
The molecular weight of 4-Benzylamino-3-nitropyridine is 229.08513 g/mol.
Where can I buy 4-Benzylamino-3-nitropyridine?
You can request a quote for 4-Benzylamino-3-nitropyridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzylamino-3-nitropyridine?
Yes, CoreyChem provides custom synthesis services for 4-Benzylamino-3-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.