Home > Compound List > Compound details
22280-60-0 molecular structure
click picture or here to close

6-chloro-2-methyl-3-nitropyridine

ChemBase ID: 22270
Molecular Formular: C6H5ClN2O2
Molecular Mass: 172.5691
Monoisotopic Mass: 172.00395509
SMILES and InChIs

SMILES:
c1(ccc(c(n1)C)[N+](=O)[O-])Cl
Canonical SMILES:
[O-][N+](=O)c1ccc(nc1C)Cl
InChI:
InChI=1S/C6H5ClN2O2/c1-4-5(9(10)11)2-3-6(7)8-4/h2-3H,1H3
InChIKey:
GHSRMSJVYMITDX-UHFFFAOYSA-N

Cite this record

CBID:22270 http://www.chembase.cn/molecule-22270.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-2-methyl-3-nitropyridine
IUPAC Traditional name
6-chloro-2-methyl-3-nitropyridine
Synonyms
2-Chloro-5-nitro-6-methylpyridine
6-Chloro-5-nitro-2-picoline
6-Chloro-2-methyl-3-nitropyridine
2-Chloro-6-methyl-5-nitropyridine
6-Chloro-3-nitro-2-picoline
6-Chloro-2-methyl-3-nitropyridine
6-氯-2-甲基-3-硝基吡啶
CAS Number
22280-60-0
EC Number
000-000-0
MDL Number
MFCD00234160
PubChem SID
160985577
PubChem CID
253123

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6511496  LogD (pH = 7.4) 1.6511496 
Log P 1.6511496  Molar Refractivity 40.6792 cm3
Polarizability 15.1262 Å3 Polar Surface Area 56.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
52 - 54°C expand Show data source
54-58°C expand Show data source
54-58°C expand Show data source
Hydrophobicity(logP)
1.729 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
95% expand Show data source
96% expand Show data source
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