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15862-18-7 molecular structure
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5-bromo-2-(5-bromopyridin-2-yl)pyridine

ChemBase ID: 289476
Molecular Formular: C10H6Br2N2
Molecular Mass: 313.97604
Monoisotopic Mass: 311.8897722
SMILES and InChIs

SMILES:
Brc1cnc(cc1)c1ncc(Br)cc1
Canonical SMILES:
Brc1ccc(nc1)c1ccc(cn1)Br
InChI:
InChI=1S/C10H6Br2N2/c11-7-1-3-9(13-5-7)10-4-2-8(12)6-14-10/h1-6H
InChIKey:
JNWPRPLNUUMYCM-UHFFFAOYSA-N

Cite this record

CBID:289476 http://www.chembase.cn/molecule-289476.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-(5-bromopyridin-2-yl)pyridine
IUPAC Traditional name
5-bromo-2-(5-bromopyridin-2-yl)pyridine
Synonyms
5,5'-Dibromo-2,2'-bipyridine
CAS Number
15862-18-7
PubChem SID
180675007
PubChem CID
10903103

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10903103 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4942827  LogD (pH = 7.4) 3.4943316 
Log P 3.4943323  Molar Refractivity 61.382 cm3
Polarizability 25.096264 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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