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1137475-57-0 molecular structure
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2-bromo-4-chloro-5-nitropyridine

ChemBase ID: 801239
Molecular Formular: C5H2BrClN2O2
Molecular Mass: 237.43858
Monoisotopic Mass: 235.89881699
SMILES and InChIs

SMILES:
n1c(cc(c(c1)[N+](=O)[O-])Cl)Br
Canonical SMILES:
[O-][N+](=O)c1cnc(cc1Cl)Br
InChI:
InChI=1S/C5H2BrClN2O2/c6-5-1-3(7)4(2-8-5)9(10)11/h1-2H
InChIKey:
HJWNYVVSEUNNMO-UHFFFAOYSA-N

Cite this record

CBID:801239 http://www.chembase.cn/molecule-801239.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-chloro-5-nitropyridine
IUPAC Traditional name
2-bromo-4-chloro-5-nitropyridine
Synonyms
2-BROMO-4-CHLORO-5-NITROPYRIDINE
CAS Number
1137475-57-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O17579 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O17579 external link Add to cart Please log in.
Data Source Data ID

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 16.51869 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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