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162104268 molecular structure
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ethyl 2-hydrazinylpyridine-3-carboxylate

ChemBase ID: 72205
Molecular Formular: C8H11N3O2
Molecular Mass: 181.19184
Monoisotopic Mass: 181.08512661
SMILES and InChIs

SMILES:
c1(C(=O)OCC)c(nccc1)NN
Canonical SMILES:
CCOC(=O)c1cccnc1NN
InChI:
InChI=1S/C8H11N3O2/c1-2-13-8(12)6-4-3-5-10-7(6)11-9/h3-5H,2,9H2,1H3,(H,10,11)
InChIKey:
WUTSCQRRPAROJE-UHFFFAOYSA-N

Cite this record

CBID:72205 http://www.chembase.cn/molecule-72205.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-hydrazinylpyridine-3-carboxylate
IUPAC Traditional name
ethyl 2-hydrazinylpyridine-3-carboxylate
Synonyms
Ethyl 2-hydrazinonicotinate
PubChem SID
162104268
PubChem CID
53404568

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 53404568 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.143698  H Acceptors
H Donor LogD (pH = 5.5) 0.6905484 
LogD (pH = 7.4) 1.6720121  Log P 1.7519585 
Molar Refractivity 50.6952 cm3 Polarizability 18.286974 Å3
Polar Surface Area 77.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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