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33630-99-8 molecular structure
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3-aminopyridin-2-ol

ChemBase ID: 22452
Molecular Formular: C5H6N2O
Molecular Mass: 110.11394
Monoisotopic Mass: 110.04801282
SMILES and InChIs

SMILES:
c1(c(cccn1)N)O
Canonical SMILES:
Nc1cccnc1O
InChI:
InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h1-3H,6H2,(H,7,8)
InChIKey:
VTSFNCCQCOEPKF-UHFFFAOYSA-N

Cite this record

CBID:22452 http://www.chembase.cn/molecule-22452.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-aminopyridin-2-ol
IUPAC Traditional name
3-aminopyridin-2-ol
Synonyms
3-Amino-2-hydroxypyridine
3-Aminopyridin-2-ol
3-amino-2-pyridinol
CAS Number
33630-99-8
59315-44-5
MDL Number
MFCD03411556
PubChem SID
160985759
PubChem CID
322353

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.230859  H Acceptors
H Donor LogD (pH = 5.5) 0.21753548 
LogD (pH = 7.4) 0.21753325  Log P 0.21753964 
Molar Refractivity 30.8959 cm3 Polarizability 11.190134 Å3
Polar Surface Area 59.14 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
TSCA Listed
false expand Show data source
Purity
95+% 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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