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70118-99-9 molecular structure
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N-(3-hydroxypyridin-4-yl)acetamide

ChemBase ID: 44886
Molecular Formular: C7H8N2O2
Molecular Mass: 152.15062
Monoisotopic Mass: 152.05857751
SMILES and InChIs

SMILES:
c1cncc(c1NC(=O)C)O
Canonical SMILES:
CC(=O)Nc1ccncc1O
InChI:
InChI=1S/C7H8N2O2/c1-5(10)9-6-2-3-8-4-7(6)11/h2-4,11H,1H3,(H,8,9,10)
InChIKey:
OCYJPTFYALGHAX-UHFFFAOYSA-N

Cite this record

CBID:44886 http://www.chembase.cn/molecule-44886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-hydroxypyridin-4-yl)acetamide
IUPAC Traditional name
N-(3-hydroxypyridin-4-yl)acetamide
Synonyms
N-(3-Hydroxypyridin-4-yl)acetamide
N-(3-Hydroxypyridin-4-yl)acetamide
CAS Number
70118-99-9
MDL Number
MFCD12922743
PubChem SID
162049649
PubChem CID
23183948

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.994264  H Acceptors
H Donor LogD (pH = 5.5) -0.8042941 
LogD (pH = 7.4) -0.42852214  Log P -0.31028157 
Molar Refractivity 40.745 cm3 Polarizability 14.9517565 Å3
Polar Surface Area 62.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C7H8N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000677 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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