ethyl 5-amino-4-chloropyridine-2-carboxylate

• ChemBase ID: 814132
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: O(C(=O)c1cc(c(cn1)N)Cl)CC
• Canonical SMILES: CCOC(=O)c1cc(Cl)c(cn1)N
• InChI: InChI=1S/C8H9ClN2O2/c1-2-13-8(12)7-3-5(9)6(10)4-11-7/h3-4H,2,10H2,1H3
• InChIKey: FOAPCYAHQUBLNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-amino-4-chloropyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-amino-4-chloropyridine-2-carboxylate
• Synonyms: ethyl 5-amino-4-chloropicolinate

Database IDs

• CAS Number: 1196156-76-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0768098
• LogD (pH = 7.4): 1.0768272
• Log P: 1.0768274
• Molar Refractivity: 49.8082 cm^3
• Polarizability: 18.80146 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%