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1138444-25-3 molecular structure
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methyl 3-(5,6-dimethoxypyridin-2-yl)prop-2-enoate

ChemBase ID: 800441
Molecular Formular: C11H13NO4
Molecular Mass: 223.22522
Monoisotopic Mass: 223.0844579
SMILES and InChIs

SMILES:
C(=O)(OC)C=Cc1nc(c(cc1)OC)OC
Canonical SMILES:
COC(=O)C=Cc1ccc(c(n1)OC)OC
InChI:
InChI=1S/C11H13NO4/c1-14-9-6-4-8(12-11(9)16-3)5-7-10(13)15-2/h4-7H,1-3H3
InChIKey:
CCEYCRIDTIMCDW-UHFFFAOYSA-N

Cite this record

CBID:800441 http://www.chembase.cn/molecule-800441.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-(5,6-dimethoxypyridin-2-yl)prop-2-enoate
IUPAC Traditional name
methyl 3-(5,6-dimethoxypyridin-2-yl)prop-2-enoate
Synonyms
Methyl 3-(5,6-dimethoxypyridin-2-yl)acrylate
CAS Number
1138444-25-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O16425 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O16425 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8102753  LogD (pH = 7.4) 1.8104155 
Log P 1.8104173  Molar Refractivity 58.4649 cm3
Polarizability 22.472448 Å3 Polar Surface Area 57.65 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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