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1020719-48-5 molecular structure
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1-(2H3)methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-ol

ChemBase ID: 170101
Molecular Formular: C13H11N3O
Molecular Mass: 225.24594
Monoisotopic Mass: 225.09021199
SMILES and InChIs

SMILES:
c1ccc(cc1)c1cnc2c(c1)n(c(n2)O)C
Canonical SMILES:
Cn1c(O)nc2c1cc(cn2)c1ccccc1
InChI:
InChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17)
InChIKey:
PDYMCBRGMDRAPX-UHFFFAOYSA-N

Cite this record

CBID:170101 http://www.chembase.cn/molecule-170101.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2H3)methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-ol
IUPAC Traditional name
1-(2H3)methyl-6-phenylimidazo[4,5-b]pyridin-2-ol
Synonyms
1,3-Dihydro-1-methyl-6-phenyl-2H-imidazo[4,5-b]pyridin-2-one-d3
2-Hydroxy-1-methyl-6-phenylimidazo(4,5-b)pyridine-d3
CAS Number
1020719-48-5
PubChem SID
164226011
PubChem CID
45039400

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC H791777 external link Add to cart
PubChem 45039400 external link
Data Source Data ID Price
TRC
H791777 external link Add to cart Please log in.
Data Source Data ID
PubChem 45039400 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.846363  H Acceptors
H Donor LogD (pH = 5.5) 2.6184108 
LogD (pH = 7.4) 2.6184068  Log P 2.6184223 
Molar Refractivity 65.8715 cm3 Polarizability 26.53331 Å3
Polar Surface Area 50.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
DMF expand Show data source
Methanol expand Show data source
Apperance
Light Yellow Solid expand Show data source
Storage Warning
Light Sensitive expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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