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1305322-95-5 molecular structure
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2-(benzyloxy)-5-fluoropyridine

ChemBase ID: 290630
Molecular Formular: C12H10FNO
Molecular Mass: 203.2123032
Monoisotopic Mass: 203.07464217
SMILES and InChIs

SMILES:
Fc1cnc(OCc2ccccc2)cc1
Canonical SMILES:
Fc1ccc(nc1)OCc1ccccc1
InChI:
InChI=1S/C12H10FNO/c13-11-6-7-12(14-8-11)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey:
CXHFAKQPKZHTQW-UHFFFAOYSA-N

Cite this record

CBID:290630 http://www.chembase.cn/molecule-290630.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)-5-fluoropyridine
IUPAC Traditional name
2-(benzyloxy)-5-fluoropyridine
Synonyms
2-(Benzyloxy)-5-fluoropyridine
CAS Number
1305322-95-5
PubChem SID
180676161
PubChem CID
54758823

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229854 Please log in.
Data Source Data ID
PubChem 54758823 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0595329  LogD (pH = 7.4) 3.0595348 
Log P 3.0595348  Molar Refractivity 55.5068 cm3
Polarizability 21.195177 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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