3-chloro-6-methoxypyridin-2-amine

• ChemBase ID: 815454
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(c(ccc1OC)Cl)N
• Canonical SMILES: COc1ccc(c(n1)N)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3,(H2,8,9)
• InChIKey: YAXPRXMMTWDYFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-methoxypyridin-2-amine
• IUPAC Traditional name: 3-chloro-6-methoxypyridin-2-amine
• Synonyms: 3-chloro-6-methoxypyridin-2-amine

Database IDs

• CAS Number: 742070-73-1

CALCULATED PROPERTIES

• Acid pKa: 19.730207
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5607626
• LogD (pH = 7.4): 1.5619211
• Log P: 1.5619359
• Molar Refractivity: 40.4965 cm^3
• Polarizability: 15.023262 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%