5-chloro-2-propoxypyridin-3-amine

• ChemBase ID: 807287
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: Nc1c(ncc(c1)Cl)OCCC
• Canonical SMILES: CCCOc1ncc(cc1N)Cl
• InChI: InChI=1S/C8H11ClN2O/c1-2-3-12-8-7(10)4-6(9)5-11-8/h4-5H,2-3,10H2,1H3
• InChIKey: LZUVOPFNCYYZEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-propoxypyridin-3-amine
• IUPAC Traditional name: 5-chloro-2-propoxypyridin-3-amine
• Synonyms: 5-CHLORO-2-PROPOXY-PYRIDIN-3-YLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8467824
• LogD (pH = 7.4): 1.8468084
• Log P: 1.8468087
• Molar Refractivity: 49.4556 cm^3
• Polarizability: 18.68014 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%