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1211526-62-3 molecular structure
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3-bromo-6-chloro-2-methoxypyridine

ChemBase ID: 290624
Molecular Formular: C6H5BrClNO
Molecular Mass: 222.467
Monoisotopic Mass: 220.92430347
SMILES and InChIs

SMILES:
COc1nc(Cl)ccc1Br
Canonical SMILES:
COc1nc(Cl)ccc1Br
InChI:
InChI=1S/C6H5BrClNO/c1-10-6-4(7)2-3-5(8)9-6/h2-3H,1H3
InChIKey:
NPCVTFQTUUYXQP-UHFFFAOYSA-N

Cite this record

CBID:290624 http://www.chembase.cn/molecule-290624.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-chloro-2-methoxypyridine
IUPAC Traditional name
3-bromo-6-chloro-2-methoxypyridine
Synonyms
3-Bromo-6-chloro-2-methoxypyridine
CAS Number
1211526-62-3
PubChem SID
180676155
PubChem CID
53217454

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229848 Please log in.
Data Source Data ID
PubChem 53217454 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.785334  LogD (pH = 7.4) 2.785334 
Log P 2.785334  Molar Refractivity 44.1667 cm3
Polarizability 16.912203 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

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