2-(bromomethyl)-6-chloro-3-fluoropyridine

• ChemBase ID: 245267
• Molecular Formular: C6H4BrClFN
• Molecular Mass: 224.4580632
• Monoisotopic Mass: 222.91996703
• SMILES: n1c(c(ccc1Cl)F)CBr
• Canonical SMILES: BrCc1nc(Cl)ccc1F
• InChI: InChI=1S/C6H4BrClFN/c7-3-5-4(9)1-2-6(8)10-5/h1-2H,3H2
• InChIKey: NWQRHFURSUUQOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-6-chloro-3-fluoropyridine
• IUPAC Traditional name: 2-(bromomethyl)-6-chloro-3-fluoropyridine
• Synonyms: 2-(bromomethyl)-6-chloro-3-fluoropyridine

Database IDs

• MDL Number: MFCD16607623
• PubChem SID: 164301177
• PubChem CID: 71757678

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5767064
• LogD (pH = 7.4): 2.5767064
• Log P: 2.5767064
• Molar Refractivity: 42.3118 cm^3
• Polarizability: 15.926885 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.396

Product Information

• Purity: 95%