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937672-26-9 molecular structure
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2-chloro-6-ethoxyquinoline-3-carbonitrile

ChemBase ID: 804587
Molecular Formular: C12H9ClN2O
Molecular Mass: 232.66566
Monoisotopic Mass: 232.0403406
SMILES and InChIs

SMILES:
c1cc2c(cc1OCC)cc(c(n2)Cl)C#N
Canonical SMILES:
CCOc1ccc2c(c1)cc(c(n2)Cl)C#N
InChI:
InChI=1S/C12H9ClN2O/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(13)15-11/h3-6H,2H2,1H3
InChIKey:
DLSJCLCHOALFAO-UHFFFAOYSA-N

Cite this record

CBID:804587 http://www.chembase.cn/molecule-804587.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-ethoxyquinoline-3-carbonitrile
IUPAC Traditional name
2-chloro-6-ethoxyquinoline-3-carbonitrile
Synonyms
2-CHLORO-6-ETHOXYQUINOLINE-3-CARBONITRILE
CAS Number
937672-26-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O21641 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O21641 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) 3.0103552  LogD (pH = 7.4) 3.0103552 
Log P 3.0103552  Molar Refractivity 62.7788 cm3
Polarizability 25.072315 Å3 Polar Surface Area 45.91 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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