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16328-62-4 molecular structure
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3H-imidazo[4,5-b]pyridin-2-ol

ChemBase ID: 114734
Molecular Formular: C6H5N3O
Molecular Mass: 135.1234
Monoisotopic Mass: 135.0432618
SMILES and InChIs

SMILES:
[nH]1c(nc2c1nccc2)O
Canonical SMILES:
Oc1nc2c([nH]1)nccc2
InChI:
InChI=1S/C6H5N3O/c10-6-8-4-2-1-3-7-5(4)9-6/h1-3H,(H2,7,8,9,10)
InChIKey:
PGDIPOWQYRAOSK-UHFFFAOYSA-N

Cite this record

CBID:114734 http://www.chembase.cn/molecule-114734.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3H-imidazo[4,5-b]pyridin-2-ol
IUPAC Traditional name
3H-imidazo[4,5-b]pyridin-2-ol
Synonyms
3H-imidazo[4,5-b]pyridin-2-ol
CAS Number
16328-62-4
MDL Number
MFCD09863989
PubChem SID
162101241
PubChem CID
519250

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F2113-0473 external link Add to cart Please log in.
Data Source Data ID
PubChem 519250 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.803496  H Acceptors
H Donor LogD (pH = 5.5) 0.78988796 
LogD (pH = 7.4) 0.78829086  Log P 0.7899783 
Molar Refractivity 34.2184 cm3 Polarizability 13.706926 Å3
Polar Surface Area 61.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.52253 expand Show data source
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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