5-(bromomethyl)-2-fluoropyridine

• ChemBase ID: 98591
• Molecular Formular: C6H5BrFN
• Molecular Mass: 190.0130032
• Monoisotopic Mass: 188.95893939
• SMILES: n1c(ccc(c1)CBr)F
• Canonical SMILES: BrCc1ccc(nc1)F
• InChI: InChI=1S/C6H5BrFN/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3H2
• InChIKey: IUJPAAPIEURDEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromomethyl)-2-fluoropyridine
• IUPAC Traditional name: 5-(bromomethyl)-2-fluoropyridine
• Synonyms: 5-(Bromomethyl)-2-fluoropyridine

Database IDs

• CAS Number: 105827-74-5
• MDL Number: MFCD11520696
• PubChem SID: 162084991
• PubChem CID: 22050638

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0649433
• LogD (pH = 7.4): 2.0649433
• Log P: 2.0649433
• Molar Refractivity: 37.9826 cm^3
• Polarizability: 13.867354 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive