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MFCD00832858 molecular structure
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2,6-dimethoxy-3-nitropyridine

ChemBase ID: 90061
Molecular Formular: C7H8N2O4
Molecular Mass: 184.14942
Monoisotopic Mass: 184.04840675
SMILES and InChIs

SMILES:
n1c(c(ccc1OC)[N+](=O)[O-])OC
Canonical SMILES:
COc1nc(OC)ccc1[N+](=O)[O-]
InChI:
InChI=1S/C7H8N2O4/c1-12-6-4-3-5(9(10)11)7(8-6)13-2/h3-4H,1-2H3
InChIKey:
HZVWNFPJKCNELX-UHFFFAOYSA-N

Cite this record

CBID:90061 http://www.chembase.cn/molecule-90061.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethoxy-3-nitropyridine
IUPAC Traditional name
2,6-dimethoxy-3-nitropyridine
Synonyms
2,6-Dimethoxy-3-nitropyridine 95+%
MDL Number
MFCD00832858
PubChem SID
162076916
PubChem CID
715195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 715195 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5691301  LogD (pH = 7.4) 1.5691301 
Log P 1.5691301  Molar Refractivity 44.7792 cm3
Polarizability 16.487719 Å3 Polar Surface Area 77.17 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
87-90°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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