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33630-94-3 molecular structure
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5-aminopyridin-2-ol

ChemBase ID: 90424
Molecular Formular: C5H6N2O
Molecular Mass: 110.11394
Monoisotopic Mass: 110.04801282
SMILES and InChIs

SMILES:
n1c(ccc(c1)N)O
Canonical SMILES:
Oc1ccc(cn1)N
InChI:
InChI=1S/C5H6N2O/c6-4-1-2-5(8)7-3-4/h1-3H,6H2,(H,7,8)
InChIKey:
GDOIKKMNCIMDAO-UHFFFAOYSA-N

Cite this record

CBID:90424 http://www.chembase.cn/molecule-90424.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-aminopyridin-2-ol
IUPAC Traditional name
5-aminopyridin-2-ol
Synonyms
5-Aminopyridin-2-ol
5-Amino-2-hydroxypyridine
5-Amino-2(1H)-pyridone
5-Amino-2-hydroxypyridine
5-氨基-2-羟基吡啶
CAS Number
33630-94-3
MDL Number
MFCD03427652
PubChem SID
162077233
PubChem CID
818256

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 818256 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.717351  H Acceptors
H Donor LogD (pH = 5.5) 0.21656953 
LogD (pH = 7.4) 0.21752535  Log P 0.21753964 
Molar Refractivity 30.8959 cm3 Polarizability 11.188332 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 180°C dec. expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
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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