2,3-difluoro-6-(propan-2-yl)pyridine

• ChemBase ID: 801875
• Molecular Formular: C8H9F2N
• Molecular Mass: 157.1605664
• Monoisotopic Mass: 157.07030573
• SMILES: n1c(c(ccc1C(C)C)F)F
• Canonical SMILES: CC(c1ccc(c(n1)F)F)C
• InChI: InChI=1S/C8H9F2N/c1-5(2)7-4-3-6(9)8(10)11-7/h3-5H,1-2H3
• InChIKey: TXUMWEBJQRJCAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-difluoro-6-(propan-2-yl)pyridine
• IUPAC Traditional name: 2,3-difluoro-6-isopropylpyridine
• Synonyms: 2,3-DIFLUORO-6-ISOPROPYLPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8098001
• LogD (pH = 7.4): 2.8098001
• Log P: 2.8098001
• Molar Refractivity: 39.1415 cm^3
• Polarizability: 14.284796 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%