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1256819-37-0 molecular structure
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2-bromo-6-chloro-3-methoxypyridine

ChemBase ID: 795916
Molecular Formular: C6H5BrClNO
Molecular Mass: 222.467
Monoisotopic Mass: 220.92430347
SMILES and InChIs

SMILES:
n1c(c(ccc1Cl)OC)Br
Canonical SMILES:
COc1ccc(nc1Br)Cl
InChI:
InChI=1S/C6H5BrClNO/c1-10-4-2-3-5(8)9-6(4)7/h2-3H,1H3
InChIKey:
FHKDVEORVOKAON-UHFFFAOYSA-N

Cite this record

CBID:795916 http://www.chembase.cn/molecule-795916.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-chloro-3-methoxypyridine
IUPAC Traditional name
2-bromo-6-chloro-3-methoxypyridine
Synonyms
Pyridine, 2-bromo-6-chloro-3-methoxy-
CAS Number
1256819-37-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3963985  LogD (pH = 7.4) 2.3963985 
Log P 2.3963985  Molar Refractivity 44.6954 cm3
Polarizability 16.950363 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
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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