2-(5-chloro-4-methylpyridin-2-yl)ethan-1-amine

• ChemBase ID: 807330
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: NCCc1ncc(c(c1)C)Cl
• Canonical SMILES: Cc1cc(CCN)ncc1Cl
• InChI: InChI=1S/C8H11ClN2/c1-6-4-7(2-3-10)11-5-8(6)9/h4-5H,2-3,10H2,1H3
• InChIKey: GKQGQCCDPIFKPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-chloro-4-methylpyridin-2-yl)ethan-1-amine
• IUPAC Traditional name: 2-(5-chloro-4-methylpyridin-2-yl)ethanamine
• Synonyms: 2-(5-CHLORO-4-METHYL-PYRIDIN-2-YL)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6814328
• LogD (pH = 7.4): -0.82453847
• Log P: 1.3172926
• Molar Refractivity: 46.3977 cm^3
• Polarizability: 18.199543 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%