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391-78-6 molecular structure
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6-fluoroquinolin-4-ol

ChemBase ID: 7495
Molecular Formular: C9H6FNO
Molecular Mass: 163.1484432
Monoisotopic Mass: 163.04334204
SMILES and InChIs

SMILES:
c12c(nccc1O)ccc(c2)F
Canonical SMILES:
Fc1ccc2c(c1)c(O)ccn2
InChI:
InChI=1S/C9H6FNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey:
BYZXOYSEYWCLOK-UHFFFAOYSA-N

Cite this record

CBID:7495 http://www.chembase.cn/molecule-7495.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-fluoroquinolin-4-ol
IUPAC Traditional name
6-fluoroquinolin-4-ol
Synonyms
6-Fluoroquinolin-4-ol
6-Fluoro-4-hydroxyquinoline
CAS Number
391-78-6
21873-50-7
MDL Number
MFCD00269610
PubChem SID
160970802
PubChem CID
2774498

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.545702  H Acceptors
H Donor LogD (pH = 5.5) 1.9699283 
LogD (pH = 7.4) 1.9697306  Log P 1.9700371 
Molar Refractivity 42.1766 cm3 Polarizability 17.19083 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Partition Coefficient
1.988 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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