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64119-44-4 molecular structure
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ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate

ChemBase ID: 309860
Molecular Formular: C12H14N2O3
Molecular Mass: 234.25116
Monoisotopic Mass: 234.10044232
SMILES and InChIs

SMILES:
c1(cc(c(nc1C)OCC)C#N)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1cc(C#N)c(nc1C)OCC
InChI:
InChI=1S/C12H14N2O3/c1-4-16-11-9(7-13)6-10(8(3)14-11)12(15)17-5-2/h6H,4-5H2,1-3H3
InChIKey:
FRHQVOSRFVIPJL-UHFFFAOYSA-N

Cite this record

CBID:309860 http://www.chembase.cn/molecule-309860.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate
IUPAC Traditional name
ethyl 5-cyano-6-ethoxy-2-methylpyridine-3-carboxylate
Synonyms
ethyl 5-cyano-6-ethoxy-2-methylnicotinate
CAS Number
64119-44-4
MDL Number
MFCD05665984

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8969189  LogD (pH = 7.4) 1.8969189 
Log P 1.8969189  Molar Refractivity 62.5134 cm3
Polarizability 23.692247 Å3 Polar Surface Area 72.21 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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