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760207-82-7 molecular structure
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3-bromo-2-ethoxy-5-methylpyridine

ChemBase ID: 77791
Molecular Formular: C8H10BrNO
Molecular Mass: 216.0751
Monoisotopic Mass: 214.99457595
SMILES and InChIs

SMILES:
n1c(c(cc(c1)C)Br)OCC
Canonical SMILES:
CCOc1ncc(cc1Br)C
InChI:
InChI=1S/C8H10BrNO/c1-3-11-8-7(9)4-6(2)5-10-8/h4-5H,3H2,1-2H3
InChIKey:
QZWWAXJNZMPWRD-UHFFFAOYSA-N

Cite this record

CBID:77791 http://www.chembase.cn/molecule-77791.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-2-ethoxy-5-methylpyridine
IUPAC Traditional name
3-bromo-2-ethoxy-5-methylpyridine
Synonyms
3-Bromo-2-ethoxy-5-methylpyridine
CAS Number
760207-82-7
PubChem SID
162042656
PubChem CID
22591175

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR15991 external link Add to cart Please log in.
Data Source Data ID
PubChem 22591175 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8312643  LogD (pH = 7.4) 2.8313406 
Log P 2.8313415  Molar Refractivity 48.0904 cm3
Polarizability 18.401762 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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