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6623-91-2 molecular structure
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6-methoxy-5-nitroquinoline

ChemBase ID: 173080
Molecular Formular: C10H8N2O3
Molecular Mass: 204.18212
Monoisotopic Mass: 204.05349213
SMILES and InChIs

SMILES:
c1ccnc2c1c(c(cc2)OC)[N+](=O)[O-]
Canonical SMILES:
COc1ccc2c(c1[N+](=O)[O-])cccn2
InChI:
InChI=1S/C10H8N2O3/c1-15-9-5-4-8-7(3-2-6-11-8)10(9)12(13)14/h2-6H,1H3
InChIKey:
RYJDGHWDTDEBGQ-UHFFFAOYSA-N

Cite this record

CBID:173080 http://www.chembase.cn/molecule-173080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-5-nitroquinoline
IUPAC Traditional name
6-methoxy-5-nitroquinoline
Synonyms
5-Nitro-6-methoxyquinoline
5-(Hydroxyl[oxido]amino)-6-methoxyquinoline
NSC 55494
6-Methoxy-5-nitroquinoline
CAS Number
6623-91-2
PubChem SID
164228990
PubChem CID
244543

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M265150 external link Add to cart
PubChem 244543 external link
Data Source Data ID Price
TRC
M265150 external link Add to cart Please log in.
Data Source Data ID
PubChem 244543 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.913012  LogD (pH = 7.4) 1.9132109 
Log P 1.9132134  Molar Refractivity 53.7672 cm3
Polarizability 21.326044 Å3 Polar Surface Area 67.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Ethyl Acetate expand Show data source
Hot Ethanol expand Show data source
Hot Methanol expand Show data source
Hydrochloric Acid expand Show data source
Apperance
Yellow Crystalline Solid expand Show data source
Melting Point
101-103°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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