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100592-11-8 molecular structure
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imidazo[1,2-a]pyridin-8-ol hydrochloride

ChemBase ID: 75559
Molecular Formular: C7H7ClN2O
Molecular Mass: 170.59628
Monoisotopic Mass: 170.02469053
SMILES and InChIs

SMILES:
Cl.n1c2n(cccc2O)cc1
Canonical SMILES:
Oc1cccn2c1ncc2.Cl
InChI:
InChI=1S/C7H6N2O.ClH/c10-6-2-1-4-9-5-3-8-7(6)9;/h1-5,10H;1H
InChIKey:
NYKPDOMWNWJIRI-UHFFFAOYSA-N

Cite this record

CBID:75559 http://www.chembase.cn/molecule-75559.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyridin-8-ol hydrochloride
IUPAC Traditional name
imidazo[1,2-a]pyridin-8-ol hydrochloride
Synonyms
Imidazo[1,2-a]pyridin-8-ol hydrochloride
8-Hydroxyimidazo[1,2-a]pyridine hydrochloride 97%
CAS Number
100592-11-8
MDL Number
MFCD09800942
PubChem SID
162040477
PubChem CID
13037245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR11533 external link Add to cart Please log in.
Data Source Data ID
PubChem 13037245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.145031  H Acceptors
H Donor LogD (pH = 5.5) 0.068374656 
LogD (pH = 7.4) 0.37307647  Log P 0.45598412 
Molar Refractivity 37.9173 cm3 Polarizability 13.895765 Å3
Polar Surface Area 37.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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