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552331-57-4 molecular structure
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4-ethenyl-2-fluoropyridine

ChemBase ID: 799167
Molecular Formular: C7H6FN
Molecular Mass: 123.1276432
Monoisotopic Mass: 123.04842742
SMILES and InChIs

SMILES:
n1c(cc(cc1)C=C)F
Canonical SMILES:
C=Cc1ccnc(c1)F
InChI:
InChI=1S/C7H6FN/c1-2-6-3-4-9-7(8)5-6/h2-5H,1H2
InChIKey:
WGVZHCAJTSCUEO-UHFFFAOYSA-N

Cite this record

CBID:799167 http://www.chembase.cn/molecule-799167.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethenyl-2-fluoropyridine
IUPAC Traditional name
4-ethenyl-2-fluoropyridine
Synonyms
2-fluoro-4-vinylpyridine
CAS Number
552331-57-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13438 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13438 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) 2.0289075  LogD (pH = 7.4) 2.028908 
Log P 2.028908  Molar Refractivity 34.8185 cm3
Polarizability 12.597809 Å3 Polar Surface Area 12.89 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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