2-bromo-6-(difluoromethyl)pyridine

• ChemBase ID: 66013
• Molecular Formular: C6H4BrF2N
• Molecular Mass: 208.0034664
• Monoisotopic Mass: 206.94951757
• SMILES: c1(cccc(n1)C(F)F)Br
• Canonical SMILES: Brc1cccc(n1)C(F)F
• InChI: InChI=1S/C6H4BrF2N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
• InChIKey: ZTBGDNNRDRISQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(difluoromethyl)pyridine
• IUPAC Traditional name: 2-bromo-6-(difluoromethyl)pyridine
• Synonyms: 2-Bromo-6-(difluoromethyl)pyridine

Database IDs

• CAS Number: 872365-91-8
• MDL Number: MFCD16140194
• PubChem SID: 162031752
• PubChem CID: 10104489

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.275892
• LogD (pH = 7.4): 2.2758923
• Log P: 2.2758923
• Molar Refractivity: 37.0964 cm^3
• Polarizability: 13.979316 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.703
• Refractive Index: 1.520

Safety Information

• Storage Warning: TOXIC
• TSCA Listed: false

Product Information

• Purity: 95%