5-chloro-2-ethoxypyridin-3-amine

• ChemBase ID: 807286
• Molecular Formular: C7H9ClN2O
• Molecular Mass: 172.61216
• Monoisotopic Mass: 172.0403406
• SMILES: Nc1c(ncc(c1)Cl)OCC
• Canonical SMILES: CCOc1ncc(cc1N)Cl
• InChI: InChI=1S/C7H9ClN2O/c1-2-11-7-6(9)3-5(8)4-10-7/h3-4H,2,9H2,1H3
• InChIKey: YVKZJKBPTAJFKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-ethoxypyridin-3-amine
• IUPAC Traditional name: 5-chloro-2-ethoxypyridin-3-amine
• Synonyms: 5-CHLORO-2-ETHOXY-PYRIDIN-3-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3242599
• LogD (pH = 7.4): 1.324286
• Log P: 1.3242863
• Molar Refractivity: 44.9316 cm^3
• Polarizability: 16.849894 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%