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MFCD00033799 molecular structure
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2-(pyridin-3-yl)acetohydrazide

ChemBase ID: 270516
Molecular Formular: C7H9N3O
Molecular Mass: 151.16586
Monoisotopic Mass: 151.07456192
SMILES and InChIs

SMILES:
C(=O)(NN)Cc1cnccc1
Canonical SMILES:
NNC(=O)Cc1cccnc1
InChI:
InChI=1S/C7H9N3O/c8-10-7(11)4-6-2-1-3-9-5-6/h1-3,5H,4,8H2,(H,10,11)
InChIKey:
HTOCJFXVAGVZIY-UHFFFAOYSA-N

Cite this record

CBID:270516 http://www.chembase.cn/molecule-270516.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-3-yl)acetohydrazide
IUPAC Traditional name
2-(pyridin-3-yl)acetohydrazide
Synonyms
2-(pyridin-3-yl)acetohydrazide
MDL Number
MFCD00033799
PubChem SID
164326426
PubChem CID
409082

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-69432 external link Add to cart Please log in.
Data Source Data ID
PubChem 409082 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 15.75153 Å3 Polar Surface Area 68.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 12.263737  H Acceptors
H Donor LogD (pH = 5.5) -0.7928623 
LogD (pH = 7.4) -0.7112708  Log P -0.71009666 
Molar Refractivity 41.515 cm3

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
99 - 101°C expand Show data source
Hydrophobicity(logP)
-1.353 expand Show data source
Purity
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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