5-bromo-2-(pentyloxy)pyridine

• ChemBase ID: 276518
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: n1c(ccc(c1)Br)OCCCCC
• Canonical SMILES: CCCCCOc1ccc(cn1)Br
• InChI: InChI=1S/C10H14BrNO/c1-2-3-4-7-13-10-6-5-9(11)8-12-10/h5-6,8H,2-4,7H2,1H3
• InChIKey: XTXXBYWBEGVHTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14652166
• PubChem SID: 164332428
• PubChem CID: 53534398

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.729562
• LogD (pH = 7.4): 3.7295797
• Log P: 3.72958
• Molar Refractivity: 56.7752 cm^3
• Polarizability: 22.09609 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.485

Product Information

• Purity: 95%