5-chloro-2-methoxypyridin-4-amine

• ChemBase ID: 813696
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(cc(c(c1)Cl)N)OC
• Canonical SMILES: COc1ncc(c(c1)N)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-2-5(8)4(7)3-9-6/h2-3H,1H3,(H2,8,9)
• InChIKey: SPWQQXAMSSCSSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-methoxypyridin-4-amine
• IUPAC Traditional name: 5-chloro-2-methoxypyridin-4-amine
• Synonyms: 5-chloro-2-methoxypyridin-4-amine

Database IDs

• CAS Number: 719305-30-3

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8544137
• LogD (pH = 7.4): 0.9658395
• Log P: 0.9674784
• Molar Refractivity: 40.183 cm^3
• Polarizability: 15.020174 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%