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1346808-76-1 molecular structure
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3-methoxy-6-(6-methoxy-5-nitropyridin-3-yl)pyridazine

ChemBase ID: 797273
Molecular Formular: C11H10N4O4
Molecular Mass: 262.2215
Monoisotopic Mass: 262.07020482
SMILES and InChIs

SMILES:
n1nc(ccc1c1cnc(c(c1)[N+](=O)[O-])OC)OC
Canonical SMILES:
COc1ccc(nn1)c1cnc(c(c1)[N+](=O)[O-])OC
InChI:
InChI=1S/C11H10N4O4/c1-18-10-4-3-8(13-14-10)7-5-9(15(16)17)11(19-2)12-6-7/h3-6H,1-2H3
InChIKey:
BVABUEPXNJPUIB-UHFFFAOYSA-N

Cite this record

CBID:797273 http://www.chembase.cn/molecule-797273.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-6-(6-methoxy-5-nitropyridin-3-yl)pyridazine
IUPAC Traditional name
3-methoxy-6-(6-methoxy-5-nitropyridin-3-yl)pyridazine
Synonyms
3-Methoxy-6-(6-Methoxy-5-nitropyridin-3-yl)pyridazine
CAS Number
1346808-76-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6601 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6601 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) 1.4047602  LogD (pH = 7.4) 1.4047633 
Log P 1.4047635  Molar Refractivity 66.2456 cm3
Polarizability 25.565378 Å3 Polar Surface Area 100.27 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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