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1242336-52-2 molecular structure
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3-(benzyloxy)-5-chloro-2-methoxypyridine

ChemBase ID: 290602
Molecular Formular: C13H12ClNO2
Molecular Mass: 249.69288
Monoisotopic Mass: 249.05565631
SMILES and InChIs

SMILES:
COc1ncc(Cl)cc1OCc1ccccc1
Canonical SMILES:
COc1ncc(cc1OCc1ccccc1)Cl
InChI:
InChI=1S/C13H12ClNO2/c1-16-13-12(7-11(14)8-15-13)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKey:
UMXFFXZBNLBAOS-UHFFFAOYSA-N

Cite this record

CBID:290602 http://www.chembase.cn/molecule-290602.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(benzyloxy)-5-chloro-2-methoxypyridine
IUPAC Traditional name
3-(benzyloxy)-5-chloro-2-methoxypyridine
Synonyms
3-(Benzyloxy)-5-chloro-2-methoxypyridine
CAS Number
1242336-52-2
PubChem SID
180676133
PubChem CID
53217407

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229824 Please log in.
Data Source Data ID
PubChem 53217407 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3631978  LogD (pH = 7.4) 3.3632061 
Log P 3.3632061  Molar Refractivity 66.5584 cm3
Polarizability 25.944952 Å3 Polar Surface Area 31.35 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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