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70201-49-9 molecular structure
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3-bromo-5-methoxy-4-methylpyridine

ChemBase ID: 798903
Molecular Formular: C7H8BrNO
Molecular Mass: 202.04852
Monoisotopic Mass: 200.97892588
SMILES and InChIs

SMILES:
n1cc(c(c(c1)OC)C)Br
Canonical SMILES:
COc1cncc(c1C)Br
InChI:
InChI=1S/C7H8BrNO/c1-5-6(8)3-9-4-7(5)10-2/h3-4H,1-2H3
InChIKey:
HOJSFKYTLBAFCV-UHFFFAOYSA-N

Cite this record

CBID:798903 http://www.chembase.cn/molecule-798903.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-methoxy-4-methylpyridine
IUPAC Traditional name
3-bromo-5-methoxy-4-methylpyridine
Synonyms
3-bromo-5-methoxy-4-methyl-pyridine
CAS Number
70201-49-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O12626 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O12626 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8630226  LogD (pH = 7.4) 1.8798562 
Log P 1.8800762  Molar Refractivity 43.0283 cm3
Polarizability 16.585846 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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