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1261906-29-9 molecular structure
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3-amino-5-chloropyridin-2-ol hydrochloride

ChemBase ID: 290361
Molecular Formular: C5H6Cl2N2O
Molecular Mass: 181.01994
Monoisotopic Mass: 179.98571818
SMILES and InChIs

SMILES:
Oc1ncc(Cl)cc1N.Cl
Canonical SMILES:
Clc1cnc(c(c1)N)O.Cl
InChI:
InChI=1S/C5H5ClN2O.ClH/c6-3-1-4(7)5(9)8-2-3;/h1-2H,7H2,(H,8,9);1H
InChIKey:
UIJBMVGLKKCQFX-UHFFFAOYSA-N

Cite this record

CBID:290361 http://www.chembase.cn/molecule-290361.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-5-chloropyridin-2-ol hydrochloride
IUPAC Traditional name
3-amino-5-chloropyridin-2-ol hydrochloride
Synonyms
3-Amino-5-chloropyridin-2-ol hydrochloride
CAS Number
1261906-29-9
PubChem SID
180675892
PubChem CID
53217435

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229328 Please log in.
Data Source Data ID
PubChem 53217435 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.754042  H Acceptors
H Donor LogD (pH = 5.5) 0.8215756 
LogD (pH = 7.4) 0.8215652  Log P 0.82158434 
Molar Refractivity 35.7007 cm3 Polarizability 13.133136 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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