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57797-97-4 molecular structure
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8-chloroquinolin-4-ol

ChemBase ID: 118761
Molecular Formular: C9H6ClNO
Molecular Mass: 179.60304
Monoisotopic Mass: 179.0137915
SMILES and InChIs

SMILES:
c12c(nccc1O)c(Cl)ccc2
Canonical SMILES:
Oc1ccnc2c1cccc2Cl
InChI:
InChI=1S/C9H6ClNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
InChIKey:
SUZPLFOSYVTCLE-UHFFFAOYSA-N

Cite this record

CBID:118761 http://www.chembase.cn/molecule-118761.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-chloroquinolin-4-ol
IUPAC Traditional name
8-chloroquinolin-4-ol
Synonyms
8-Chloroquinolin-4-ol
8-CHLORO-4-HYDROXYQUINOLINE
CAS Number
57797-97-4
MDL Number
MFCD00272388
PubChem SID
162102828
PubChem CID
265885

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 265885 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.506039  H Acceptors
H Donor LogD (pH = 5.5) 2.4313247 
LogD (pH = 7.4) 2.431045  Log P 2.4313798 
Molar Refractivity 46.765 cm3 Polarizability 19.431482 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
2.388 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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