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204593-51-1 molecular structure
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3-(difluoromethoxy)-2-nitropyridine

ChemBase ID: 180299
Molecular Formular: C6H4F2N2O3
Molecular Mass: 190.1043664
Monoisotopic Mass: 190.01899844
SMILES and InChIs

SMILES:
c1([N+](=O)[O-])c(OC(F)F)cccn1
Canonical SMILES:
FC(Oc1cccnc1[N+](=O)[O-])F
InChI:
InChI=1S/C6H4F2N2O3/c7-6(8)13-4-2-1-3-9-5(4)10(11)12/h1-3,6H
InChIKey:
QIAOBDSINGSZRL-UHFFFAOYSA-N

Cite this record

CBID:180299 http://www.chembase.cn/molecule-180299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(difluoromethoxy)-2-nitropyridine
IUPAC Traditional name
3-(difluoromethoxy)-2-nitropyridine
Synonyms
2-Nitro-3-difluoromethoxy pyridine
CAS Number
204593-51-1
PubChem SID
164236209
PubChem CID
19034678

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
CHH00312 external link Add to cart Please log in.
Data Source Data ID
PubChem 19034678 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.059102  LogD (pH = 7.4) 2.059102 
Log P 2.059102  Molar Refractivity 38.0114 cm3
Polarizability 13.741997 Å3 Polar Surface Area 67.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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