2-chloro-3-cyclopropylpyridine

• ChemBase ID: 796569
• Molecular Formular: C8H8ClN
• Molecular Mass: 153.60882
• Monoisotopic Mass: 153.03452694
• SMILES: n1c(c(ccc1)C1CC1)Cl
• Canonical SMILES: Clc1ncccc1C1CC1
• InChI: InChI=1S/C8H8ClN/c9-8-7(6-3-4-6)2-1-5-10-8/h1-2,5-6H,3-4H2
• InChIKey: YYGGOZSJFITZCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-cyclopropylpyridine
• IUPAC Traditional name: 2-chloro-3-cyclopropylpyridine
• Synonyms: 2-Chloro-3-cyclopropylpyridine

Database IDs

• CAS Number: 865664-04-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.361032
• LogD (pH = 7.4): 2.3610778
• Log P: 2.3610785
• Molar Refractivity: 42.1558 cm^3
• Polarizability: 16.07483 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%