6-chloro-5-methoxypyridin-2-amine

• ChemBase ID: 807160
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Nc1nc(c(cc1)OC)Cl
• Canonical SMILES: COc1ccc(nc1Cl)N
• InChI: InChI=1S/C6H7ClN2O/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3,(H2,8,9)
• InChIKey: XYRKDHDEOIXQCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methoxypyridin-2-amine
• IUPAC Traditional name: 6-chloro-5-methoxypyridin-2-amine
• Synonyms: 6-CHLORO-5-METHOXY-PYRIDIN-2-YLAMINE

Database IDs

• CAS Number: 886371-76-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1872079
• LogD (pH = 7.4): 1.18765
• Log P: 1.1876556
• Molar Refractivity: 41.2443 cm^3
• Polarizability: 15.088099 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%