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42881-66-3 molecular structure
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4-bromo-6-methoxyquinoline

ChemBase ID: 806605
Molecular Formular: C10H8BrNO
Molecular Mass: 238.08062
Monoisotopic Mass: 236.97892588
SMILES and InChIs

SMILES:
c1cc2c(cc1OC)c(ccn2)Br
Canonical SMILES:
COc1ccc2c(c1)c(Br)ccn2
InChI:
InChI=1S/C10H8BrNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChIKey:
HRFFYKLVLCFCQG-UHFFFAOYSA-N

Cite this record

CBID:806605 http://www.chembase.cn/molecule-806605.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-6-methoxyquinoline
IUPAC Traditional name
4-bromo-6-methoxyquinoline
Synonyms
4-BROMO-6-METHOXYQUINOLINE
CAS Number
42881-66-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24363 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24363 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7374868  LogD (pH = 7.4) 2.741925 
Log P 2.7419817  Molar Refractivity 54.0653 cm3
Polarizability 22.156696 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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