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163234-74-0 molecular structure
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2-fluoro-3-methoxypyridine

ChemBase ID: 38362
Molecular Formular: C6H6FNO
Molecular Mass: 127.1163432
Monoisotopic Mass: 127.04334204
SMILES and InChIs

SMILES:
c1cnc(c(c1)OC)F
Canonical SMILES:
COc1cccnc1F
InChI:
InChI=1S/C6H6FNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey:
YXYUTIBARPJYBX-UHFFFAOYSA-N

Cite this record

CBID:38362 http://www.chembase.cn/molecule-38362.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-3-methoxypyridine
IUPAC Traditional name
2-fluoro-3-methoxypyridine
Synonyms
2-Fluoro-3-methoxypyridine
CAS Number
163234-74-0
MDL Number
MFCD09834126
PubChem SID
161001669
PubChem CID
45079809

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 45079809 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1345346  LogD (pH = 7.4) 1.1345347 
Log P 1.1345347  Molar Refractivity 31.5954 cm3
Polarizability 11.672179 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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