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147496-14-8 molecular structure
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2-bromo-5-(6-bromopyridin-3-yl)pyridine

ChemBase ID: 71306
Molecular Formular: C10H6Br2N2
Molecular Mass: 313.97604
Monoisotopic Mass: 311.8897722
SMILES and InChIs

SMILES:
n1c(ccc(c2cnc(cc2)Br)c1)Br
Canonical SMILES:
Brc1ccc(cn1)c1ccc(nc1)Br
InChI:
InChI=1S/C10H6Br2N2/c11-9-3-1-7(5-13-9)8-2-4-10(12)14-6-8/h1-6H
InChIKey:
IJTQXCQPBVBRSV-UHFFFAOYSA-N

Cite this record

CBID:71306 http://www.chembase.cn/molecule-71306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-(6-bromopyridin-3-yl)pyridine
IUPAC Traditional name
2-bromo-5-(6-bromopyridin-3-yl)pyridine
Synonyms
6,6'-Dibromo-3,3'bipyridine
6,6'-Dibromo-3,3'-bipyridine
6,6'-二溴-3,3'-联吡啶
CAS Number
147496-14-8
MDL Number
MFCD09037441
PubChem SID
162036896
PubChem CID
6426300

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6426300 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1336515  LogD (pH = 7.4) 3.1336753 
Log P 3.1336756  Molar Refractivity 63.8104 cm3
Polarizability 25.187325 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 249°C dec. expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
tech. 90% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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