6-tert-butyl-2-chloropyridin-3-amine

• ChemBase ID: 801870
• Molecular Formular: C9H13ClN2
• Molecular Mass: 184.66592
• Monoisotopic Mass: 184.07672611
• SMILES: n1c(c(ccc1C(C)(C)C)N)Cl
• Canonical SMILES: Nc1ccc(nc1Cl)C(C)(C)C
• InChI: InChI=1S/C9H13ClN2/c1-9(2,3)7-5-4-6(11)8(10)12-7/h4-5H,11H2,1-3H3
• InChIKey: LLCQBTVEQGFDNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butyl-2-chloropyridin-3-amine
• IUPAC Traditional name: 6-tert-butyl-2-chloropyridin-3-amine
• Synonyms: 6-TERT-BUTYL-2-CHLOROPYRIDIN-3-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.681719
• LogD (pH = 7.4): 2.681775
• Log P: 2.6817758
• Molar Refractivity: 52.7615 cm^3
• Polarizability: 19.787716 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%