2-bromo-5-cyclopropylpyridine

• ChemBase ID: 796711
• Molecular Formular: C8H8BrN
• Molecular Mass: 198.05982
• Monoisotopic Mass: 196.98401126
• SMILES: n1c(ccc(c1)C1CC1)Br
• Canonical SMILES: Brc1ccc(cn1)C1CC1
• InChI: InChI=1S/C8H8BrN/c9-8-4-3-7(5-10-8)6-1-2-6/h3-6H,1-2H2
• InChIKey: WCHBRVOAPMMHIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-cyclopropylpyridine
• IUPAC Traditional name: 2-bromo-5-cyclopropylpyridine
• Synonyms: 2-BroMo-5-cyclopropylpyridine

Database IDs

• CAS Number: 1142197-14-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5110402
• LogD (pH = 7.4): 2.51113
• Log P: 2.5111313
• Molar Refractivity: 44.7547 cm^3
• Polarizability: 16.991394 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%