ethyl 5-amino-6-chloropyridine-2-carboxylate

• ChemBase ID: 801871
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: n1c(ccc(c1Cl)N)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1ccc(c(n1)Cl)N
• InChI: InChI=1S/C8H9ClN2O2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2,10H2,1H3
• InChIKey: GFHAARCXFQKMGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-amino-6-chloropyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-amino-6-chloropyridine-2-carboxylate
• Synonyms: ETHYL 5-AMINO-6-CHLOROPYRIDINE-2-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2970045
• LogD (pH = 7.4): 1.2970046
• Log P: 1.2970046
• Molar Refractivity: 50.8695 cm^3
• Polarizability: 18.856323 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%