2-tert-butyl-5-chloropyridin-4-amine

• ChemBase ID: 801959
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: n1c(cc(c(c1)Cl)N)C(C)(C)C
• Canonical SMILES: Clc1cnc(cc1N)C(C)(C)C
• InChI: InChI=1S/C9H13ClN2/c1-9(2,3)8-4-7(11)6(10)5-12-8/h4-5H,1-3H3,(H2,11,12)
• InChIKey: GCQCMKGAMQPXNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-tert-butyl-5-chloropyridin-4-amine
• IUPAC Traditional name: 2-tert-butyl-5-chloropyridin-4-amine
• Synonyms: 2-TERT-BUTYL-5-CHLOROPYRIDIN-4-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1452019
• LogD (pH = 7.4): 2.1899679
• Log P: 2.4615986
• Molar Refractivity: 51.7002 cm^3
• Polarizability: 19.733732 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%