2-bromo-4-iodopyridine

• ChemBase ID: 67872
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: c1(cc(ccn1)I)Br
• Canonical SMILES: Ic1ccnc(c1)Br
• InChI: InChI=1S/C5H3BrIN/c6-5-3-4(7)1-2-8-5/h1-3H
• InChIKey: HPKRNLGLZYOVJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-iodopyridine
• IUPAC Traditional name: 2-bromo-4-iodopyridine
• Synonyms: 2-Bromo-4-iodopyridine; 2-Bromo-4-iodopyridine; 2-Bromo-4-iodo-pyridine; 2-溴-4-碘吡啶

Database IDs

• CAS Number: 100523-96-4
• EC Number: 000-000-0
• MDL Number: MFCD03085768
• Beilstein Number: 108925
• PubChem SID: 162033607
• PubChem CID: 1051520

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6587892
• LogD (pH = 7.4): 2.6587925
• Log P: 2.6587925
• Molar Refractivity: 45.7286 cm^3
• Polarizability: 17.862892 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 61°C; 61°C
• Partition Coefficient: 3.104

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%; 98%