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1261895-63-9 molecular structure
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5-bromo-2-butoxy-3-methylpyridine

ChemBase ID: 290606
Molecular Formular: C10H14BrNO
Molecular Mass: 244.12826
Monoisotopic Mass: 243.02587607
SMILES and InChIs

SMILES:
Cc1cc(Br)cnc1OCCCC
Canonical SMILES:
CCCCOc1ncc(cc1C)Br
InChI:
InChI=1S/C10H14BrNO/c1-3-4-5-13-10-8(2)6-9(11)7-12-10/h6-7H,3-5H2,1-2H3
InChIKey:
WEXJJRNSIABFEN-UHFFFAOYSA-N

Cite this record

CBID:290606 http://www.chembase.cn/molecule-290606.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-butoxy-3-methylpyridine
IUPAC Traditional name
5-bromo-2-butoxy-3-methylpyridine
Synonyms
5-Bromo-2-butoxy-3-methylpyridine
CAS Number
1261895-63-9
PubChem SID
180676137
PubChem CID
53217427

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229829 Please log in.
Data Source Data ID
PubChem 53217427 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7983675  LogD (pH = 7.4) 3.7984319 
Log P 3.7984326  Molar Refractivity 57.2154 cm3
Polarizability 22.025917 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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