2-(bromomethyl)-6-fluoropyridine

• ChemBase ID: 289543
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: Fc1cccc(CBr)n1
• Canonical SMILES: BrCc1cccc(n1)F
• InChI: InChI=1S/C6H5BrFN/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
• InChIKey: ADYKBYXVMBDQQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-6-fluoropyridine
• IUPAC Traditional name: 2-(bromomethyl)-6-fluoropyridine
• Synonyms: 2-(Bromomethyl)-6-fluoropyridine

Database IDs

• CAS Number: 100202-78-6
• MDL Number: MFCD09953532
• PubChem SID: 180675074
• PubChem CID: 13985218

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1464152
• LogD (pH = 7.4): 2.1464152
• Log P: 2.1464152
• Molar Refractivity: 37.4604 cm^3
• Polarizability: 13.868676 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%