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1211534-25-6 molecular structure
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4-bromo-5-chloro-2-methoxypyridine

ChemBase ID: 291359
Molecular Formular: C6H5BrClNO
Molecular Mass: 222.467
Monoisotopic Mass: 220.92430347
SMILES and InChIs

SMILES:
COc1ncc(Cl)c(Br)c1
Canonical SMILES:
COc1ncc(c(c1)Br)Cl
InChI:
InChI=1S/C6H5BrClNO/c1-10-6-2-4(7)5(8)3-9-6/h2-3H,1H3
InChIKey:
RSSHUQXUQXYECT-UHFFFAOYSA-N

Cite this record

CBID:291359 http://www.chembase.cn/molecule-291359.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-5-chloro-2-methoxypyridine
IUPAC Traditional name
4-bromo-5-chloro-2-methoxypyridine
Synonyms
4-Bromo-5-chloro-2-methoxypyridine
CAS Number
1211534-25-6
MDL Number
MFCD16609882
PubChem SID
180676890
PubChem CID
70700260

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231147 Please log in.
Data Source Data ID
PubChem 70700260 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.565156  LogD (pH = 7.4) 2.565157 
Log P 2.565157  Molar Refractivity 43.1054 cm3
Polarizability 16.866947 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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