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1171918-06-1 molecular structure
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3,5-difluoro-2-methoxypyridine

ChemBase ID: 38356
Molecular Formular: C6H5F2NO
Molecular Mass: 145.1068064
Monoisotopic Mass: 145.03392023
SMILES and InChIs

SMILES:
c1(c(cc(cn1)F)F)OC
Canonical SMILES:
COc1ncc(cc1F)F
InChI:
InChI=1S/C6H5F2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey:
MEYHCABYUQUSKK-UHFFFAOYSA-N

Cite this record

CBID:38356 http://www.chembase.cn/molecule-38356.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,5-difluoro-2-methoxypyridine
IUPAC Traditional name
3,5-difluoro-2-methoxypyridine
Synonyms
3,5-Difluoro-2-methoxypyridine
3,5-Difluoro-2-methoxypyridine
3,5-二氟-2-甲氧基吡啶
CAS Number
1171918-06-1
MDL Number
MFCD12405057
PubChem SID
161001663
PubChem CID
46737253

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46737253 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4777635  LogD (pH = 7.4) 1.4777635 
Log P 1.4777635  Molar Refractivity 31.1106 cm3
Polarizability 11.516438 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
36-39°C expand Show data source
36-39°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source
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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