5-bromo-2-(cyclopropylmethoxy)pyridine

• ChemBase ID: 288022
• Molecular Formular: C9H10BrNO
• Molecular Mass: 228.0858
• Monoisotopic Mass: 226.99457595
• SMILES: Brc1cnc(OCC2CC2)cc1
• Canonical SMILES: Brc1ccc(nc1)OCC1CC1
• InChI: InChI=1S/C9H10BrNO/c10-8-3-4-9(11-5-8)12-6-7-1-2-7/h3-5,7H,1-2,6H2
• InChIKey: FXLHFKZNQOIRGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(cyclopropylmethoxy)pyridine
• IUPAC Traditional name: 5-bromo-2-(cyclopropylmethoxy)pyridine
• Synonyms: 5-Bromo-2-(cyclopropylmethoxy)pyridine

Database IDs

• CAS Number: 494772-02-0
• PubChem SID: 180673553
• PubChem CID: 21914279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7416718
• LogD (pH = 7.4): 2.7416894
• Log P: 2.7416894
• Molar Refractivity: 50.2426 cm^3
• Polarizability: 19.579063 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%