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1020253-15-9 molecular structure
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4-bromo-2-chloro-5-methoxypyridine

ChemBase ID: 289941
Molecular Formular: C6H5BrClNO
Molecular Mass: 222.467
Monoisotopic Mass: 220.92430347
SMILES and InChIs

SMILES:
COc1cnc(Cl)cc1Br
Canonical SMILES:
COc1cnc(cc1Br)Cl
InChI:
InChI=1S/C6H5BrClNO/c1-10-5-3-9-6(8)2-4(5)7/h2-3H,1H3
InChIKey:
ROFQXQOLLAPAOR-UHFFFAOYSA-N

Cite this record

CBID:289941 http://www.chembase.cn/molecule-289941.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-2-chloro-5-methoxypyridine
IUPAC Traditional name
4-bromo-2-chloro-5-methoxypyridine
Synonyms
4-Bromo-2-chloro-5-methoxypyridine
CAS Number
1020253-15-9
PubChem SID
180675472
PubChem CID
46738706

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD226887 Please log in.
Data Source Data ID
PubChem 46738706 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1908762  LogD (pH = 7.4) 2.1908765 
Log P 2.1908765  Molar Refractivity 43.8532 cm3
Polarizability 16.899342 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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