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160599-70-2 molecular structure
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2,5-dibromo-3-chloropyridine

ChemBase ID: 64369
Molecular Formular: C5H2Br2ClN
Molecular Mass: 271.33708
Monoisotopic Mass: 268.82425075
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Br)Cl)Br
Canonical SMILES:
Brc1cnc(c(c1)Cl)Br
InChI:
InChI=1S/C5H2Br2ClN/c6-3-1-4(8)5(7)9-2-3/h1-2H
InChIKey:
FMPHOXAZOVLRIF-UHFFFAOYSA-N

Cite this record

CBID:64369 http://www.chembase.cn/molecule-64369.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dibromo-3-chloropyridine
IUPAC Traditional name
2,5-dibromo-3-chloropyridine
Synonyms
2,5-Dibromo-3-chloropyridine
CAS Number
160599-70-2
MDL Number
MFCD08277306
PubChem SID
162030108
PubChem CID
12630983

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1026454  LogD (pH = 7.4) 3.1026454 
Log P 3.1026454  Molar Refractivity 44.7937 cm3
Polarizability 17.521233 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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