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41957-91-9 molecular structure
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2-chloro-4-methylquinolin-6-ol

ChemBase ID: 12485
Molecular Formular: C10H8ClNO
Molecular Mass: 193.62962
Monoisotopic Mass: 193.02944156
SMILES and InChIs

SMILES:
c1(ccc2c(c1)c(cc(n2)Cl)C)O
Canonical SMILES:
Oc1ccc2c(c1)c(C)cc(n2)Cl
InChI:
InChI=1S/C10H8ClNO/c1-6-4-10(11)12-9-3-2-7(13)5-8(6)9/h2-5,13H,1H3
InChIKey:
QXJYCJKEMJEVDS-UHFFFAOYSA-N

Cite this record

CBID:12485 http://www.chembase.cn/molecule-12485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-methylquinolin-6-ol
IUPAC Traditional name
2-chloro-4-methylquinolin-6-ol
Synonyms
2-Chloro-4-methyl-quinolin-6-ol
CAS Number
41957-91-9
MDL Number
MFCD00579691
PubChem SID
160975792
PubChem CID
766382

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 766382 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 9.620424  H Acceptors
H Donor LogD (pH = 5.5) 3.1649077 
LogD (pH = 7.4) 3.1623874  Log P 3.1649785 
Molar Refractivity 52.8675 cm3 Polarizability 21.22898 Å3
Polar Surface Area 33.12 Å2

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
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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