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75806-86-9 molecular structure
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2-bromo-5-chloro-3-nitropyridine

ChemBase ID: 21947
Molecular Formular: C5H2BrClN2O2
Molecular Mass: 237.43858
Monoisotopic Mass: 235.89881699
SMILES and InChIs

SMILES:
c1(cnc(c(c1)[N+](=O)[O-])Br)Cl
Canonical SMILES:
Clc1cnc(c(c1)[N+](=O)[O-])Br
InChI:
InChI=1S/C5H2BrClN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
InChIKey:
VFMIDVIAQMFGGP-UHFFFAOYSA-N

Cite this record

CBID:21947 http://www.chembase.cn/molecule-21947.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-5-chloro-3-nitropyridine
IUPAC Traditional name
2-bromo-5-chloro-3-nitropyridine
Synonyms
2-Bromo-5-chloro-3-nitropyridine
2-Bromo-5-chloro-3-nitropyridine
CAS Number
75806-86-9
MDL Number
MFCD07368982
PubChem SID
160985254
PubChem CID
280681

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.273877  LogD (pH = 7.4) 2.273877 
Log P 2.273877  Molar Refractivity 43.4914 cm3
Polarizability 16.508562 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
75 - 77°C expand Show data source
Hydrophobicity(logP)
1.984 expand Show data source
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
95% expand Show data source
96% expand Show data source
97% expand Show data source
Empirical Formula (Hill Notation)
C5H2BrClN2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000433 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

INTERNET

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