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23432-43-1 molecular structure
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6-chloroquinolin-4-ol

ChemBase ID: 117238
Molecular Formular: C9H6ClNO
Molecular Mass: 179.60304
Monoisotopic Mass: 179.0137915
SMILES and InChIs

SMILES:
c12c(nccc1O)ccc(c2)Cl
Canonical SMILES:
Clc1ccc2c(c1)c(O)ccn2
InChI:
InChI=1S/C9H6ClNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-5H,(H,11,12)
InChIKey:
XXGUQCVVGPZTPF-UHFFFAOYSA-N

Cite this record

CBID:117238 http://www.chembase.cn/molecule-117238.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloroquinolin-4-ol
IUPAC Traditional name
6-chloroquinolin-4-ol
Synonyms
6-Chloroquinolin-4-ol
6-CHLORO-4-HYDROXYQUINOLINE
CAS Number
23432-43-1
MDL Number
MFCD00024011
PubChem SID
162102712
PubChem CID
220929

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 220929 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.436303  H Acceptors
H Donor LogD (pH = 5.5) 2.4312773 
LogD (pH = 7.4) 2.4309862  Log P 2.4313798 
Molar Refractivity 46.765 cm3 Polarizability 19.404964 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
2.427 expand Show data source
Hydrophobicity(logP)
3.126 expand Show data source
Purity
95% expand Show data source
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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