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803700-29-0 molecular structure
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3-(3-fluoro-5-nitrophenoxy)pyridine

ChemBase ID: 798838
Molecular Formular: C11H7FN2O3
Molecular Mass: 234.1832832
Monoisotopic Mass: 234.04407031
SMILES and InChIs

SMILES:
n1cc(ccc1)Oc1cc(cc(c1)[N+](=O)[O-])F
Canonical SMILES:
Fc1cc(Oc2cccnc2)cc(c1)[N+](=O)[O-]
InChI:
InChI=1S/C11H7FN2O3/c12-8-4-9(14(15)16)6-11(5-8)17-10-2-1-3-13-7-10/h1-7H
InChIKey:
DBJJZYUJIVEGND-UHFFFAOYSA-N

Cite this record

CBID:798838 http://www.chembase.cn/molecule-798838.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-fluoro-5-nitrophenoxy)pyridine
IUPAC Traditional name
3-(3-fluoro-5-nitrophenoxy)pyridine
Synonyms
3-(3-fluoro-5-nitrophenoxy)pyridine
CAS Number
803700-29-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12436 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12436 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 2.291488 
LogD (pH = 7.4) 2.3379133  Log P 2.3385468 
Molar Refractivity 56.6788 cm3 Polarizability 21.386158 Å3
Polar Surface Area 65.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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