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1289270-73-0 molecular structure
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2-(benzyloxy)-5-bromo-3-methylpyridine

ChemBase ID: 796660
Molecular Formular: C13H12BrNO
Molecular Mass: 278.14448
Monoisotopic Mass: 277.01022601
SMILES and InChIs

SMILES:
n1c(c(cc(c1)Br)C)OCc1ccccc1
Canonical SMILES:
Brc1cnc(c(c1)C)OCc1ccccc1
InChI:
InChI=1S/C13H12BrNO/c1-10-7-12(14)8-15-13(10)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey:
IYQUGOYFVFTNMR-UHFFFAOYSA-N

Cite this record

CBID:796660 http://www.chembase.cn/molecule-796660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)-5-bromo-3-methylpyridine
IUPAC Traditional name
2-(benzyloxy)-5-bromo-3-methylpyridine
Synonyms
2-(Benzyloxy)-5-broMo-3-Methylpyridine
CAS Number
1289270-73-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3814 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) 4.198949  LogD (pH = 7.4) 4.199006 
Log P 4.1990066  Molar Refractivity 67.9544 cm3
Polarizability 26.031864 Å3 Polar Surface Area 22.12 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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