3-cyclopropyl-2-methylpyridine

• ChemBase ID: 797138
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: n1c(c(ccc1)C1CC1)C
• Canonical SMILES: Cc1ncccc1C1CC1
• InChI: InChI=1S/C9H11N/c1-7-9(8-4-5-8)3-2-6-10-7/h2-3,6,8H,4-5H2,1H3
• InChIKey: LREIJCYCOLPRQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropyl-2-methylpyridine
• IUPAC Traditional name: 3-cyclopropyl-2-methylpyridine
• Synonyms: 3-Cyclopropyl-2-Methylpyridine

Database IDs

• CAS Number: 1346533-28-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.9853025
• LogD (pH = 7.4): 1.6446488
• Log P: 1.6682268
• Molar Refractivity: 40.8812 cm^3
• Polarizability: 15.926839 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%