2-chloro-6-(propan-2-yl)pyridin-3-amine

• ChemBase ID: 801874
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: n1c(c(ccc1C(C)C)N)Cl
• Canonical SMILES: CC(c1ccc(c(n1)Cl)N)C
• InChI: InChI=1S/C8H11ClN2/c1-5(2)7-4-3-6(10)8(9)11-7/h3-5H,10H2,1-2H3
• InChIKey: PKZUQSSINWZWRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(propan-2-yl)pyridin-3-amine
• IUPAC Traditional name: 2-chloro-6-isopropylpyridin-3-amine
• Synonyms: 2-CHLORO-6-ISOPROPYLPYRIDIN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1256766
• LogD (pH = 7.4): 2.1257606
• Log P: 2.1257615
• Molar Refractivity: 48.2605 cm^3
• Polarizability: 17.94964 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%