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1186311-14-7 molecular structure
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6-(dimethoxymethyl)-3-methyl-3H-imidazo[4,5-b]pyridine

ChemBase ID: 45002
Molecular Formular: C10H13N3O2
Molecular Mass: 207.22912
Monoisotopic Mass: 207.10077667
SMILES and InChIs

SMILES:
c1(cnc2c(c1)ncn2C)C(OC)OC
Canonical SMILES:
COC(c1cnc2c(c1)ncn2C)OC
InChI:
InChI=1S/C10H13N3O2/c1-13-6-12-8-4-7(5-11-9(8)13)10(14-2)15-3/h4-6,10H,1-3H3
InChIKey:
UIDNYSCZICDRRN-UHFFFAOYSA-N

Cite this record

CBID:45002 http://www.chembase.cn/molecule-45002.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(dimethoxymethyl)-3-methyl-3H-imidazo[4,5-b]pyridine
IUPAC Traditional name
6-(dimethoxymethyl)-3-methylimidazo[4,5-b]pyridine
Synonyms
6-(Dimethoxymethyl)-3-methyl-3H-imidazo[4,5-b]pyridine
6-(Dimethoxymethyl)-3-methyl-3H-imidazo[4,5-b]pyridine
CAS Number
1186311-14-7
MDL Number
MFCD12922820
PubChem SID
162049765
PubChem CID
46737968

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 46737968 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.7871569  LogD (pH = 7.4) 0.7876428 
Log P 0.787649  Molar Refractivity 55.0091 cm3
Polarizability 21.760359 Å3 Polar Surface Area 49.17 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C10H13N3O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE001238 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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