2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine

• ChemBase ID: 796199
• Molecular Formular: C9H14ClN3O
• Molecular Mass: 215.67996
• Monoisotopic Mass: 215.08253976
• SMILES: n1c(cc(cc1OCCN(C)C)N)Cl
• Canonical SMILES: CN(CCOc1cc(N)cc(n1)Cl)C
• InChI: InChI=1S/C9H14ClN3O/c1-13(2)3-4-14-9-6-7(11)5-8(10)12-9/h5-6H,3-4H2,1-2H3,(H2,11,12)
• InChIKey: SLCGQFJPFQYAOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
• IUPAC Traditional name: 2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
• Synonyms: 2-Chloro-6-(2-(diMethylaMino)ethoxy)pyridin-4-aMine

Database IDs

• CAS Number: 1186112-12-8

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7653335
• LogD (pH = 7.4): -0.0396709
• Log P: 1.2063
• Molar Refractivity: 59.2634 cm^3
• Polarizability: 22.092024 Å^3
• Polar Surface Area: 51.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%