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35969-75-6 molecular structure
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5-nitropyridine-2-carbaldehyde

ChemBase ID: 810652
Molecular Formular: C6H4N2O3
Molecular Mass: 152.10756
Monoisotopic Mass: 152.022192
SMILES and InChIs

SMILES:
n1cc(ccc1C=O)[N+](=O)[O-]
Canonical SMILES:
O=Cc1ccc(cn1)[N+](=O)[O-]
InChI:
InChI=1S/C6H4N2O3/c9-4-5-1-2-6(3-7-5)8(10)11/h1-4H
InChIKey:
NBHKYBWIGBFSRE-UHFFFAOYSA-N

Cite this record

CBID:810652 http://www.chembase.cn/molecule-810652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-nitropyridine-2-carbaldehyde
IUPAC Traditional name
5-nitropyridine-2-carbaldehyde
Synonyms
3-NITRO-6-PYRIDINECARBOXALDEHYDE
CAS Number
35969-75-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29374 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29374 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) 1.082603  LogD (pH = 7.4) 1.082603 
Log P 1.082603  Molar Refractivity 36.4204 cm3
Polarizability 13.320321 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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