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25391-61-1 molecular structure
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2-bromo-3-iodo-5-nitropyridine

ChemBase ID: 32437
Molecular Formular: C5H2BrIN2O2
Molecular Mass: 328.89005
Monoisotopic Mass: 327.83443731
SMILES and InChIs

SMILES:
c1(cnc(c(c1)I)Br)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1cnc(c(c1)I)Br
InChI:
InChI=1S/C5H2BrIN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H
InChIKey:
MWNBICGZLNMEBT-UHFFFAOYSA-N

Cite this record

CBID:32437 http://www.chembase.cn/molecule-32437.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-3-iodo-5-nitropyridine
IUPAC Traditional name
2-bromo-3-iodo-5-nitropyridine
Synonyms
2-Bromo-3-iodo-5-nitropyridine
2-Bromo-3-iodo-5-nitropyridine
CAS Number
25391-61-1
MDL Number
MFCD09038021
PubChem SID
160995744
PubChem CID
45361728

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5987766  LogD (pH = 7.4) 2.5987766 
Log P 2.5987766  Molar Refractivity 52.0491 cm3
Polarizability 20.078232 Å3 Polar Surface Area 56.03 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
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C5H2BrIN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000438 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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