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80392-79-6 molecular structure
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3-bromo-2,6-difluoropyridine

ChemBase ID: 64858
Molecular Formular: C5H2BrF2N
Molecular Mass: 193.9768864
Monoisotopic Mass: 192.93386751
SMILES and InChIs

SMILES:
c1c(nc(c(c1)Br)F)F
Canonical SMILES:
Fc1ccc(c(n1)F)Br
InChI:
InChI=1S/C5H2BrF2N/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey:
GLWVPTDEVHPILQ-UHFFFAOYSA-N

Cite this record

CBID:64858 http://www.chembase.cn/molecule-64858.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-2,6-difluoropyridine
IUPAC Traditional name
3-bromo-2,6-difluoropyridine
Synonyms
3-Bromo-2,5-difluoropyridine
CAS Number
80392-79-6
MDL Number
MFCD12827553
PubChem SID
162030597
PubChem CID
19765739

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 19765739 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5975912  LogD (pH = 7.4) 2.5975912 
Log P 2.5975912  Molar Refractivity 33.9861 cm3
Polarizability 12.149361 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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