3-chloro-5-cyclopropylpyridine

• ChemBase ID: 796795
• Molecular Formular: C8H8ClN
• Molecular Mass: 153.60882
• Monoisotopic Mass: 153.03452694
• SMILES: n1cc(cc(c1)C1CC1)Cl
• Canonical SMILES: Clc1cncc(c1)C1CC1
• InChI: InChI=1S/C8H8ClN/c9-8-3-7(4-10-5-8)6-1-2-6/h3-6H,1-2H2
• InChIKey: VDCMULOWOZXEJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-cyclopropylpyridine
• IUPAC Traditional name: 3-chloro-5-cyclopropylpyridine
• Synonyms: 3-Chloro-5-cyclopropylpyridine

Database IDs

• CAS Number: 1256803-11-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.135198
• LogD (pH = 7.4): 2.1408288
• Log P: 2.1409013
• Molar Refractivity: 41.0945 cm^3
• Polarizability: 16.027645 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%