4-chloro-3-cyclopropylpyridine

• ChemBase ID: 796108
• Molecular Formular: C8H8ClN
• Molecular Mass: 153.60882
• Monoisotopic Mass: 153.03452694
• SMILES: n1cc(c(cc1)Cl)C1CC1
• Canonical SMILES: Clc1ccncc1C1CC1
• InChI: InChI=1S/C8H8ClN/c9-8-3-4-10-5-7(8)6-1-2-6/h3-6H,1-2H2
• InChIKey: UGUMXLGYXPEPCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-3-cyclopropylpyridine
• IUPAC Traditional name: 4-chloro-3-cyclopropylpyridine
• Synonyms: 4-Chloro-3-cyclopropylpyridine

Database IDs

• CAS Number: 1346544-23-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1122236
• LogD (pH = 7.4): 2.1405253
• Log P: 2.1409013
• Molar Refractivity: 41.0945 cm^3
• Polarizability: 16.015833 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%