2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine CAS NO.33400-49-6

Details:

1. Introduction of 2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine

2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine (CAS NO.33400-49-6) is a yellow to ochre-green crystalline powder. Our 2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine is 99%min(GC). It can be packaged in Plastic Drum with double lined plastic bag inside. The FOB price of this chemical is 0-100000 USD/kilogram. The min. order of this chemical is 1 kilogram. You can use this product as a intermediate. Furthermore, we will delivery it from beijing port in china. We can supply this chemical 10 metric ton per year.

Other detailed information:

Appearance:Yellow to ochre-green crystalline powder
Assay: ≥99.0%(GC)
Melting Point :175-181℃(≤2℃)
Loss on drying: ≤0.1%
Synonyms:N2-(4-fluorobenzyl)-5-nitropyridine-2,6-diaMine;2-Amino-6-[(4-fluorobenzyl)-amino]-3-nitropyridine;N6-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine;6-[[(4-Fluorophenyl)methyl]amino]-3-nitro-2-pyridinamine
Formula: C₁₂H₁₁FN₄O₂ 
M.W.: 173.57 
Feature: Yellow to yellow-green crystal powder, M.p.:175-181℃.bp 464.5°C at 760 mmHg, fp 234.7°C

2. Basic information of 2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine

1) Properties:

(1)XLogP3-AA: 2.8; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 6; (4)Rotatable Bond Count: 3; (5)Tautomer Count: 9; (6)Exact Mass: 262.086604; (7)MonoIsotopic Mass: 262.086604; (8)Topological Polar Surface Area: 96.8; (9)Heavy Atom Count: 19; (10)Formal Charge: 0; (11)Complexity: 305; (12)Isotope Atom Count: 0; (13)Defined Atom Stereocenter Count: 0; (14)Undefined Atom Stereocenter Count: 0; (15)Defined Bond Stereocenter Count: 0; (16)Undefined Bond Stereocenter Count: 0; (17)Covalently-Bonded Unit Count: 1; (18)Feature 3D Acceptor Count: 2; (19)Feature 3D Donor Count: 2; (20)Feature 3D Anion Count: 1; (21)Feature 3D Cation Count: 2; (22)Feature 3D Ring Count: 2; (23)Effective Rotor Count: 4; (24)Conformer Sampling RMSD: 0.6; (25)CID Conformer Count: 24.

2) Descriptors of Structure

InChI: InChI=1S/C12H11FN4O2/c13-9-3-1-8(2-4-9)7-15-11-6-5-10(17(18)19)12(14)16-11/h1-6H,7H2,(H3,14,15,16)
InChIKey: ZVCIIRBNNSUNCH-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1CNC2=NC(=C(C=C2)[N+](=O)[O-])N)F
Smiles: [N+](c1c(nc(cc1)NCc1ccc(cc1)F)N)([O-])=O

2-Amino-3-nitro-6-(4-fluorobenzylamino)pyridine (CAS NO.33400-49-6) can be used as a pharmaceutical.