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21203-68-9 molecular structure
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2-methyl-5-nitropyridine

ChemBase ID: 67984
Molecular Formular: C6H6N2O2
Molecular Mass: 138.12404
Monoisotopic Mass: 138.04292744
SMILES and InChIs

SMILES:
c1(ccc(cn1)[N+](=O)[O-])C
Canonical SMILES:
Cc1ccc(cn1)[N+](=O)[O-]
InChI:
InChI=1S/C6H6N2O2/c1-5-2-3-6(4-7-5)8(9)10/h2-4H,1H3
InChIKey:
USZINSZJSVMICC-UHFFFAOYSA-N

Cite this record

CBID:67984 http://www.chembase.cn/molecule-67984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-nitropyridine
IUPAC Traditional name
2-methyl-5-nitropyridine
Synonyms
2-Methyl-5-nitropyridine
5-Nitro-2-picoline
2-Methyl-5-nitropyridine 95%
CAS Number
21203-68-9
MDL Number
MFCD04114179
PubChem SID
162033716
PubChem CID
2794552

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.82691824  LogD (pH = 7.4) 0.8269276 
Log P 0.8269277  Molar Refractivity 34.8131 cm3
Polarizability 13.10693 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
107-109°C expand Show data source
Hydrophobicity(logP)
1.067 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
93% expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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