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387-97-3 molecular structure
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5-fluoroquinolin-8-ol

ChemBase ID: 97024
Molecular Formular: C9H6FNO
Molecular Mass: 163.1484432
Monoisotopic Mass: 163.04334204
SMILES and InChIs

SMILES:
n1cccc2c1c(ccc2F)O
Canonical SMILES:
Fc1ccc(c2c1cccn2)O
InChI:
InChI=1S/C9H6FNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
InChIKey:
YHXLEKUJMPEQAJ-UHFFFAOYSA-N

Cite this record

CBID:97024 http://www.chembase.cn/molecule-97024.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoroquinolin-8-ol
IUPAC Traditional name
8QUINOLINOL5fluoro
Synonyms
5-Fluoro-8-hydroxyquinoline 99%
CAS Number
387-97-3
MDL Number
MFCD00059754
PubChem SID
162083652
PubChem CID
217907

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC3756W external link Add to cart Please log in.
Data Source Data ID
PubChem 217907 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 8.456485  H Acceptors
H Donor LogD (pH = 5.5) 1.9654146 
LogD (pH = 7.4) 1.933422  Log P 1.9700371 
Molar Refractivity 42.1766 cm3 Polarizability 17.200205 Å3
Polar Surface Area 33.12 Å2

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
110°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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