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6343-98-2 molecular structure
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2-hydrazinyl-5-nitropyridine

ChemBase ID: 41376
Molecular Formular: C5H6N4O2
Molecular Mass: 154.12674
Monoisotopic Mass: 154.04907545
SMILES and InChIs

SMILES:
c1(cnc(NN)cc1)[N+](=O)[O-]
Canonical SMILES:
NNc1ccc(cn1)[N+](=O)[O-]
InChI:
InChI=1S/C5H6N4O2/c6-8-5-2-1-4(3-7-5)9(10)11/h1-3H,6H2,(H,7,8)
InChIKey:
DDWAPSXNXHYQLK-UHFFFAOYSA-N

Cite this record

CBID:41376 http://www.chembase.cn/molecule-41376.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydrazinyl-5-nitropyridine
IUPAC Traditional name
2-hydrazinyl-5-nitropyridine
Synonyms
2-Hydrazino-5-nitropyridine
CAS Number
6343-98-2
MDL Number
MFCD00118332
PubChem SID
162046139
PubChem CID
4031931

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4031931 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.654585  H Acceptors
H Donor LogD (pH = 5.5) 0.66091144 
LogD (pH = 7.4) 0.681359  Log P 0.68165773 
Molar Refractivity 41.246 cm3 Polarizability 13.958237 Å3
Polar Surface Area 96.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
194 - 196°C expand Show data source
195 - 196 °C expand Show data source
195-196°C expand Show data source
Hydrophobicity(logP)
0.546 expand Show data source
Storage Warning
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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