4-bromo-2-(4-bromopyridin-2-yl)pyridine

• ChemBase ID: 180421
• Molecular Formular: C10H6Br2N2
• Molecular Mass: 313.97604
• Monoisotopic Mass: 311.8897722
• SMILES: c1(cc(ccn1)Br)c1cc(ccn1)Br
• Canonical SMILES: Brc1ccnc(c1)c1nccc(c1)Br
• InChI: InChI=1S/C10H6Br2N2/c11-7-1-3-13-9(5-7)10-6-8(12)2-4-14-10/h1-6H
• InChIKey: KIIHBDSNVJRWFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2-(4-bromopyridin-2-yl)pyridine
• IUPAC Traditional name: 4-bromo-2-(4-bromopyridin-2-yl)pyridine
• Synonyms: 4,4'-Dibromo-2,2'-bipyridine

Database IDs

• CAS Number: 18511-71-2
• PubChem SID: 164236331
• PubChem CID: 15569987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4941225
• LogD (pH = 7.4): 3.4943297
• Log P: 3.4943323
• Molar Refractivity: 61.382 cm^3
• Polarizability: 25.08927 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true