2-chloro-6-methoxypyridin-4-amine

• ChemBase ID: 813694
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(cc(cc1OC)N)Cl
• Canonical SMILES: COc1cc(N)cc(n1)Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-6-3-4(8)2-5(7)9-6/h2-3H,1H3,(H2,8,9)
• InChIKey: FZGUZYNTDPJNLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-methoxypyridin-4-amine
• IUPAC Traditional name: 2-chloro-6-methoxypyridin-4-amine
• Synonyms: 2-chloro-6-methoxypyridin-4-amine

Database IDs

• CAS Number: 1008304-85-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1862962
• LogD (pH = 7.4): 1.1876384
• Log P: 1.1876556
• Molar Refractivity: 41.2443 cm^3
• Polarizability: 15.071406 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%