6-chloro-5-methoxypyridin-3-amine

• ChemBase ID: 288027
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: Nc1cc(OC)c(Cl)nc1
• Canonical SMILES: COc1cc(N)cnc1Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-5-2-4(8)3-9-6(5)7/h2-3H,8H2,1H3
• InChIKey: FJKVNEBFHWMVGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-5-methoxypyridin-3-amine
• IUPAC Traditional name: 6-chloro-5-methoxypyridin-3-amine
• Synonyms: 6-Chloro-5-methoxypyridin-3-amine; 3-AMINO-6-CHLORO-5-METHOXY PYRIDINE

Database IDs

• CAS Number: 75711-01-2
• PubChem SID: 180673558
• PubChem CID: 23456143

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5931661
• LogD (pH = 7.4): 0.59319764
• Log P: 0.593198
• Molar Refractivity: 40.9308 cm^3
• Polarizability: 15.077084 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%