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1196154-86-5 molecular structure
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6-bromo-4-nitropyridine-3-carbaldehyde

ChemBase ID: 814367
Molecular Formular: C6H3BrN2O3
Molecular Mass: 231.00362
Monoisotopic Mass: 229.93270397
SMILES and InChIs

SMILES:
c1(c(cnc(c1)Br)C=O)[N+](=O)[O-]
Canonical SMILES:
O=Cc1cnc(cc1[N+](=O)[O-])Br
InChI:
InChI=1S/C6H3BrN2O3/c7-6-1-5(9(11)12)4(3-10)2-8-6/h1-3H
InChIKey:
VQKIDNWIOQMXCB-UHFFFAOYSA-N

Cite this record

CBID:814367 http://www.chembase.cn/molecule-814367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-4-nitropyridine-3-carbaldehyde
IUPAC Traditional name
6-bromo-4-nitropyridine-3-carbaldehyde
Synonyms
6-bromo-4-nitronicotinaldehyde
CAS Number
1196154-86-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36528 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36528 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) 1.3823346  LogD (pH = 7.4) 1.3823346 
Log P 1.3823346  Molar Refractivity 45.2706 cm3
Polarizability 16.458776 Å3 Polar Surface Area 73.1 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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