Home > Compound List > Compound details
1214343-07-3 molecular structure
click picture or here to close

2-methoxy-3-nitro-5-(trifluoromethyl)pyridine

ChemBase ID: 51117
Molecular Formular: C7H5F3N2O3
Molecular Mass: 222.1214096
Monoisotopic Mass: 222.02522669
SMILES and InChIs

SMILES:
c1(c(cc(cn1)C(F)(F)F)[N+](=O)[O-])OC
Canonical SMILES:
COc1ncc(cc1[N+](=O)[O-])C(F)(F)F
InChI:
InChI=1S/C7H5F3N2O3/c1-15-6-5(12(13)14)2-4(3-11-6)7(8,9)10/h2-3H,1H3
InChIKey:
VZGHMCGCQCEIRQ-UHFFFAOYSA-N

Cite this record

CBID:51117 http://www.chembase.cn/molecule-51117.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-3-nitro-5-(trifluoromethyl)pyridine
IUPAC Traditional name
2-methoxy-3-nitro-5-(trifluoromethyl)pyridine
Synonyms
2-Methoxy-3-nitro-5-(trifluoromethyl)pyridine
CAS Number
1214343-07-3
MDL Number
MFCD14702308
PubChem SID
162055880
PubChem CID
46315201

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
054656 external link Add to cart Please log in.
Data Source Data ID
PubChem 46315201 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0101924  LogD (pH = 7.4) 2.0101924 
Log P 2.0101924  Molar Refractivity 43.9762 cm3
Polarizability 15.465598 Å3 Polar Surface Area 67.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle