2-bromo-6-(6-bromopyridin-2-yl)pyridine

• ChemBase ID: 146159
• Molecular Formular: C10H6Br2N2
• Molecular Mass: 313.97604
• Monoisotopic Mass: 311.8897722
• SMILES: c1cc(nc(c1)Br)c1cccc(n1)Br
• Canonical SMILES: Brc1cccc(n1)c1cccc(n1)Br
• InChI: InChI=1S/C10H6Br2N2/c11-9-5-1-3-7(13-9)8-4-2-6-10(12)14-8/h1-6H
• InChIKey: WZVWSOXTTOJQQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(6-bromopyridin-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(6-bromopyridin-2-yl)pyridine
• Synonyms: 6,6′-Dibromo-2,2′-dipyridyl; 6,6′-二溴-2,2′-联吡啶

Database IDs

• CAS Number: 49669-22-9
• MDL Number: MFCD00234587
• PubChem SID: 162240358; 24873719
• PubChem CID: 4407547

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9053757
• LogD (pH = 7.4): 3.9053762
• Log P: 3.9053762
• Molar Refractivity: 63.0664 cm^3
• Polarizability: 25.194662 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220-223 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%
• Empirical Formula (Hill Notation): C10H6Br2N2

DETAILS

Sigma Aldrich - 513881

Packaging
500 mg in glass bottle