5-bromo-2-iodopyridine

• ChemBase ID: 13766
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: c1(cnc(cc1)I)Br
• Canonical SMILES: Ic1ccc(cn1)Br
• InChI: InChI=1S/C5H3BrIN/c6-4-1-2-5(7)8-3-4/h1-3H
• InChIKey: HSNBRDZXJMPDGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-iodopyridine
• IUPAC Traditional name: 5-bromo-2-iodopyridine
• Synonyms: 5-Bromo-2-iodopyridine; 5-Bromo-2-iodopyridine; 5-溴-2-碘吡啶

Database IDs

• CAS Number: 223463-13-6
• EC Number: 000-000-0
• MDL Number: MFCD00691506
• Beilstein Number: 2119
• PubChem SID: 24880511; 160977073
• PubChem CID: 593690

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.485857
• LogD (pH = 7.4): 2.4858582
• Log P: 2.4858582
• Molar Refractivity: 44.5945 cm^3
• Polarizability: 17.893974 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113 - 117°C; 113-114°C; 113-116°C; 113-117 °C(lit.); 113-117°C
• Hydrophobicity(logP): 2.444

Safety Information

• Storage Warning: IRRITANT, LIGHT SENSITIVE; Irritant/Light Sensitive/Store under Argon/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C5H3BrIN

DETAILS

Sigma Aldrich - 569607

Packaging
5, 25 g in glass bottle

REFERENCES

• Conditions have been described for the generation of 5-bromo-2-pyridylmagnesium chloride, using isopropylmagnesium chloride, and its subsequent reaction with electrophiles to give various 2-substituted 5-bromopyridines: Org. Lett., 6, 4905 (2004).