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6-(2-ethoxypyridin-3-yl)-2,4-dimethylpyridine-3-carbonitrile

ChemBase ID: 450185
Molecular Formular: C15H15N3O
Molecular Mass: 253.2991
Monoisotopic Mass: 253.12151212
SMILES and InChIs

SMILES:
c1(nc(c(c(c1)C)C#N)C)c1c(nccc1)OCC
Canonical SMILES:
CCOc1ncccc1c1cc(C)c(c(n1)C)C#N
InChI:
InChI=1S/C15H15N3O/c1-4-19-15-12(6-5-7-17-15)14-8-10(2)13(9-16)11(3)18-14/h5-8H,4H2,1-3H3
InChIKey:
TUWTYOUZGGMMAC-UHFFFAOYSA-N

Cite this record

CBID:450185 http://www.chembase.cn/molecule-450185.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(2-ethoxypyridin-3-yl)-2,4-dimethylpyridine-3-carbonitrile
IUPAC Traditional name
6-(2-ethoxypyridin-3-yl)-2,4-dimethylpyridine-3-carbonitrile
Synonyms
2'-ethoxy-4,6-dimethyl-2,3'-bipyridine-5-carbonitrile

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.8651555  LogD (pH = 7.4) 2.865455 
Log P 2.8654587  Molar Refractivity 73.388 cm3
Polarizability 29.23048 Å3 Polar Surface Area 58.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.8  LOG S -3.7 
Polar Surface Area 58.8 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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