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65407-94-5 molecular structure
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2-aminopyridin-3-ol hydrochloride

ChemBase ID: 293497
Molecular Formular: C5H7ClN2O
Molecular Mass: 146.57488
Monoisotopic Mass: 146.02469053
SMILES and InChIs

SMILES:
Oc1cccnc1N.Cl
Canonical SMILES:
Oc1cccnc1N.Cl
InChI:
InChI=1S/C5H6N2O.ClH/c6-5-4(8)2-1-3-7-5;/h1-3,8H,(H2,6,7);1H
InChIKey:
JDBGIMMIWMCWEB-UHFFFAOYSA-N

Cite this record

CBID:293497 http://www.chembase.cn/molecule-293497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopyridin-3-ol hydrochloride
IUPAC Traditional name
2-aminopyridin-3-ol hydrochloride
Synonyms
2-Aminopyridin-3-ol hydrochloride
2-AMINO-PYRIDIN-3-OL HYDROCHLORIDE
CAS Number
65407-94-5
MDL Number
MFCD04114122
PubChem SID
180679028
PubChem CID
2762798

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2762798 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.601381  H Acceptors
H Donor LogD (pH = 5.5) -0.99246067 
LogD (pH = 7.4) 0.07236483  Log P 0.21753964 
Molar Refractivity 30.8959 cm3 Polarizability 11.187218 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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