5-chloro-4-methoxypyridin-2-amine

• ChemBase ID: 801150
• Molecular Formular: C6H7ClN2O
• Molecular Mass: 158.58558
• Monoisotopic Mass: 158.02469053
• SMILES: n1c(cc(c(c1)Cl)OC)N
• Canonical SMILES: COc1cc(N)ncc1Cl
• InChI: InChI=1S/C6H7ClN2O/c1-10-5-2-6(8)9-3-4(5)7/h2-3H,1H3,(H2,8,9)
• InChIKey: FXVNVJFNMIOKOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 662117-63-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.15656948
• LogD (pH = 7.4): 0.93243957
• Log P: 0.9674784
• Molar Refractivity: 40.183 cm^3
• Polarizability: 15.028698 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%