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856965-37-2 molecular structure
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6-aminopyridin-3-ol hydrochloride

ChemBase ID: 78021
Molecular Formular: C5H7ClN2O
Molecular Mass: 146.57488
Monoisotopic Mass: 146.02469053
SMILES and InChIs

SMILES:
n1c(ccc(c1)O)N.Cl
Canonical SMILES:
Nc1ccc(cn1)O.Cl
InChI:
InChI=1S/C5H6N2O.ClH/c6-5-2-1-4(8)3-7-5;/h1-3,8H,(H2,6,7);1H
InChIKey:
VFVKEBQUEFKSMO-UHFFFAOYSA-N

Cite this record

CBID:78021 http://www.chembase.cn/molecule-78021.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-aminopyridin-3-ol hydrochloride
IUPAC Traditional name
6-aminopyridin-3-ol hydrochloride
Synonyms
6-Aminopyridin-3-ol hydrochloride
5-Hydroxypyridin-2-amine hydrochloride
2-Amino-5-hydroxypyridine hydrochloride
CAS Number
856965-37-2
MDL Number
MFCD11506259
PubChem SID
162042856
PubChem CID
45790888

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR16984 external link Add to cart Please log in.
Data Source Data ID
PubChem 45790888 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.167422  H Acceptors
H Donor LogD (pH = 5.5) -0.7678203 
LogD (pH = 7.4) 0.1548961  Log P 0.21753964 
Molar Refractivity 30.8959 cm3 Polarizability 11.185558 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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