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131941-25-8 molecular structure
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2-(4-methoxyphenyl)-5-nitropyridine

ChemBase ID: 41243
Molecular Formular: C12H10N2O3
Molecular Mass: 230.2194
Monoisotopic Mass: 230.06914219
SMILES and InChIs

SMILES:
c1(cnc(cc1)c1ccc(cc1)OC)[N+](=O)[O-]
Canonical SMILES:
COc1ccc(cc1)c1ccc(cn1)[N+](=O)[O-]
InChI:
InChI=1S/C12H10N2O3/c1-17-11-5-2-9(3-6-11)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
InChIKey:
AQFGZIXPQOUSHT-UHFFFAOYSA-N

Cite this record

CBID:41243 http://www.chembase.cn/molecule-41243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methoxyphenyl)-5-nitropyridine
IUPAC Traditional name
2-(4-methoxyphenyl)-5-nitropyridine
Synonyms
2-(4-Methoxyphenyl)-5-nitropyridine
CAS Number
131941-25-8
MDL Number
MFCD06200960
PubChem SID
162046006
PubChem CID
2763869

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2763869 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5709572  LogD (pH = 7.4) 2.570962 
Log P 2.570962  Molar Refractivity 62.4532 cm3
Polarizability 24.751541 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)
Melting Point
132 - 135 °C expand Show data source
132-135°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
> 95% expand Show data source
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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