2-chloro-6-(propan-2-yloxy)pyridin-4-amine

• ChemBase ID: 796192
• Molecular Formular: C8H11ClN2O
• Molecular Mass: 186.63874
• Monoisotopic Mass: 186.05599066
• SMILES: n1c(cc(cc1OC(C)C)N)Cl
• Canonical SMILES: CC(Oc1cc(N)cc(n1)Cl)C
• InChI: InChI=1S/C8H11ClN2O/c1-5(2)12-8-4-6(10)3-7(9)11-8/h3-5H,1-2H3,(H2,10,11)
• InChIKey: APVFZEIHRHIKLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(propan-2-yloxy)pyridin-4-amine
• IUPAC Traditional name: 2-chloro-6-isopropoxypyridin-4-amine
• Synonyms: 2-Chloro-6-isopropoxypyridin-4-aMine

Database IDs

• CAS Number: 1186111-99-8

CALCULATED PROPERTIES

• Log P: 1.9610386
• Molar Refractivity: 50.4117 cm^3
• Polarizability: 18.729391 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9598745
• LogD (pH = 7.4): 1.9610238

PROPERTIES

Product Information

• Purity: 96%