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16420-30-7 molecular structure
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2-bromo-3,5-dinitropyridine

ChemBase ID: 816190
Molecular Formular: C5H2BrN3O4
Molecular Mass: 247.99108
Monoisotopic Mass: 246.92286756
SMILES and InChIs

SMILES:
n1c(c(cc(c1)[N+](=O)[O-])[N+](=O)[O-])Br
Canonical SMILES:
[O-][N+](=O)c1cnc(c(c1)[N+](=O)[O-])Br
InChI:
InChI=1S/C5H2BrN3O4/c6-5-4(9(12)13)1-3(2-7-5)8(10)11/h1-2H
InChIKey:
DTSYPWHCOVBOLN-UHFFFAOYSA-N

Cite this record

CBID:816190 http://www.chembase.cn/molecule-816190.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-3,5-dinitropyridine
IUPAC Traditional name
2-bromo-3,5-dinitropyridine
Synonyms
2-BROMO-3,5-DINITROPYRIDINE
CAS Number
16420-30-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O40061 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O40061 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.266344  H Acceptors
H Donor LogD (pH = 5.5) 1.6098164 
LogD (pH = 7.4) 1.6098164  Log P 1.6098164 
Molar Refractivity 45.0071 cm3 Polarizability 16.664059 Å3
Polar Surface Area 99.17 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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