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342617-07-6 molecular structure
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6-iodoquinolin-4-ol

ChemBase ID: 256414
Molecular Formular: C9H6INO
Molecular Mass: 271.05451
Monoisotopic Mass: 270.94941182
SMILES and InChIs

SMILES:
c12c(nccc1O)ccc(c2)I
Canonical SMILES:
Ic1ccc2c(c1)c(O)ccn2
InChI:
InChI=1S/C9H6INO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey:
ZAZOVHUNVUSQMU-UHFFFAOYSA-N

Cite this record

CBID:256414 http://www.chembase.cn/molecule-256414.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-iodoquinolin-4-ol
IUPAC Traditional name
6-iodoquinolin-4-ol
Synonyms
6-iodoquinolin-4-ol
4-Hydroxy-6-iodoquinoline
CAS Number
342617-07-6
MDL Number
MFCD06808826
PubChem SID
164312324
PubChem CID
5250493

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5250493 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.504131  H Acceptors
H Donor LogD (pH = 5.5) 2.7561746 
LogD (pH = 7.4) 2.7559426  Log P 2.7562797 
Molar Refractivity 55.3227 cm3 Polarizability 22.58527 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.536 expand Show data source
Purity
95% expand Show data source
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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