2-chloro-6-ethoxypyridin-4-amine

• ChemBase ID: 804740
• Molecular Formular: C7H9ClN2O
• Molecular Mass: 172.61216
• Monoisotopic Mass: 172.0403406
• SMILES: n1c(cc(cc1OCC)N)Cl
• Canonical SMILES: CCOc1cc(N)cc(n1)Cl
• InChI: InChI=1S/C7H9ClN2O/c1-2-11-7-4-5(9)3-6(8)10-7/h3-4H,2H2,1H3,(H2,9,10)
• InChIKey: WOMCVZKTPXWGFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-ethoxypyridin-4-amine
• IUPAC Traditional name: 2-chloro-6-ethoxypyridin-4-amine
• Synonyms: 2-CHLORO-6-ETHOXYPYRIDIN-4-AMINE

Database IDs

• CAS Number: 1008304-85-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5432056
• LogD (pH = 7.4): 1.5444477
• Log P: 1.5444635
• Molar Refractivity: 45.9929 cm^3
• Polarizability: 16.898804 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%