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871269-04-4 molecular structure
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5-bromo-2-ethoxy-4-(6-ethoxypyridin-3-yl)pyridine

ChemBase ID: 810453
Molecular Formular: C14H15BrN2O2
Molecular Mass: 323.1851
Monoisotopic Mass: 322.03168973
SMILES and InChIs

SMILES:
n1c(cc(c(c1)Br)c1ccc(nc1)OCC)OCC
Canonical SMILES:
CCOc1ccc(cn1)c1cc(OCC)ncc1Br
InChI:
InChI=1S/C14H15BrN2O2/c1-3-18-13-6-5-10(8-16-13)11-7-14(19-4-2)17-9-12(11)15/h5-9H,3-4H2,1-2H3
InChIKey:
BVBDAPBJYPUDBA-UHFFFAOYSA-N

Cite this record

CBID:810453 http://www.chembase.cn/molecule-810453.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-ethoxy-4-(6-ethoxypyridin-3-yl)pyridine
IUPAC Traditional name
5-bromo-2-ethoxy-4-(6-ethoxypyridin-3-yl)pyridine
Synonyms
5-BROMO-2,2'-DIETHOXY-4,5'-BIPYRIDINE
CAS Number
871269-04-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29090 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5407605  LogD (pH = 7.4) 3.5410635 
Log P 3.5410674  Molar Refractivity 77.5538 cm3
Polarizability 30.924185 Å3 Polar Surface Area 44.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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