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1260843-59-1 molecular structure
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3,4-dibromo-5-fluoropyridine

ChemBase ID: 68258
Molecular Formular: C5H2Br2FN
Molecular Mass: 254.8824832
Monoisotopic Mass: 252.85380129
SMILES and InChIs

SMILES:
c1c(c(c(cn1)F)Br)Br
Canonical SMILES:
Brc1c(F)cncc1Br
InChI:
InChI=1S/C5H2Br2FN/c6-3-1-9-2-4(8)5(3)7/h1-2H
InChIKey:
KJVNORXSGJINCX-UHFFFAOYSA-N

Cite this record

CBID:68258 http://www.chembase.cn/molecule-68258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,4-dibromo-5-fluoropyridine
IUPAC Traditional name
3,4-dibromo-5-fluoropyridine
Synonyms
3,4-Dibromo-5-fluoropyridine
CAS Number
1260843-59-1
MDL Number
MFCD13193300
PubChem SID
162033990
PubChem CID
56604234

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56604234 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4357796  LogD (pH = 7.4) 2.4357805 
Log P 2.4357805  Molar Refractivity 39.3631 cm3
Polarizability 15.411749 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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