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99455-01-3 molecular structure
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6-iodoquinolin-2-ol

ChemBase ID: 288606
Molecular Formular: C9H6INO
Molecular Mass: 271.05451
Monoisotopic Mass: 270.94941182
SMILES and InChIs

SMILES:
Oc1nc2ccc(I)cc2cc1
Canonical SMILES:
Ic1ccc2c(c1)ccc(n2)O
InChI:
InChI=1S/C9H6INO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
InChIKey:
HRQARRHZNIORQE-UHFFFAOYSA-N

Cite this record

CBID:288606 http://www.chembase.cn/molecule-288606.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-iodoquinolin-2-ol
IUPAC Traditional name
6-iodoquinolin-2-ol
Synonyms
6-Iodoquinolin-2-ol
CAS Number
99455-01-3
PubChem SID
180674137
PubChem CID
13836184

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD209867 Please log in.
Data Source Data ID
PubChem 13836184 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 11.772338 
H Acceptors H Donor
LogD (pH = 5.5) 3.3507257  LogD (pH = 7.4) 3.3507187 
Log P 3.350737  Molar Refractivity 55.6362 cm3
Polarizability 22.586937 Å3

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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