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120277-15-8 molecular structure
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4-(bromomethyl)-2-methoxypyridine

ChemBase ID: 292342
Molecular Formular: C7H8BrNO
Molecular Mass: 202.04852
Monoisotopic Mass: 200.97892588
SMILES and InChIs

SMILES:
COc1nccc(CBr)c1
Canonical SMILES:
COc1nccc(c1)CBr
InChI:
InChI=1S/C7H8BrNO/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5H2,1H3
InChIKey:
ROPDTLJSDLQQGZ-UHFFFAOYSA-N

Cite this record

CBID:292342 http://www.chembase.cn/molecule-292342.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(bromomethyl)-2-methoxypyridine
IUPAC Traditional name
4-(bromomethyl)-2-methoxypyridine
Synonyms
4-(Bromomethyl)-2-methoxypyridine
CAS Number
120277-15-8
PubChem SID
180677873
PubChem CID
19805431

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241134 Please log in.
Data Source Data ID
PubChem 19805431 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9641151  LogD (pH = 7.4) 1.9650847 
Log P 1.965097  Molar Refractivity 43.5282 cm3
Polarizability 16.560991 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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