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136888-79-4 molecular structure
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2-fluoro-5-methoxypyridine

ChemBase ID: 814672
Molecular Formular: C6H6FNO
Molecular Mass: 127.1163432
Monoisotopic Mass: 127.04334204
SMILES and InChIs

SMILES:
n1c(ccc(c1)OC)F
Canonical SMILES:
COc1ccc(nc1)F
InChI:
InChI=1S/C6H6FNO/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKey:
KSZQZUAJEWXGQM-UHFFFAOYSA-N

Cite this record

CBID:814672 http://www.chembase.cn/molecule-814672.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-5-methoxypyridine
IUPAC Traditional name
2-fluoro-5-methoxypyridine
Synonyms
2-fluoro-5-methoxypyridine
CAS Number
136888-79-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36886 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36886 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1345347  LogD (pH = 7.4) 1.1345347 
Log P 1.1345347  Molar Refractivity 31.5954 cm3
Polarizability 11.672168 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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