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443956-08-9 molecular structure
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6-bromo-2-nitropyridin-3-ol

ChemBase ID: 288538
Molecular Formular: C5H3BrN2O3
Molecular Mass: 218.99292
Monoisotopic Mass: 217.93270397
SMILES and InChIs

SMILES:
Oc1ccc(Br)nc1[N+](=O)[O-]
Canonical SMILES:
Brc1ccc(c(n1)[N+](=O)[O-])O
InChI:
InChI=1S/C5H3BrN2O3/c6-4-2-1-3(9)5(7-4)8(10)11/h1-2,9H
InChIKey:
GSGNTVQLHGOEMB-UHFFFAOYSA-N

Cite this record

CBID:288538 http://www.chembase.cn/molecule-288538.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-2-nitropyridin-3-ol
IUPAC Traditional name
6-bromo-2-nitropyridin-3-ol
Synonyms
6-Bromo-2-nitropyridin-3-ol
CAS Number
443956-08-9
PubChem SID
180674069
PubChem CID
21873808

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 21873808 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.5126743  H Acceptors
H Donor LogD (pH = 5.5) 1.6778679 
LogD (pH = 7.4) 0.57340723  Log P 1.9607245 
Molar Refractivity 40.981 cm3 Polarizability 15.215726 Å3
Polar Surface Area 76.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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