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159309-66-7 molecular structure
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2-amino-6-chloropyridin-3-ol

ChemBase ID: 814091
Molecular Formular: C5H5ClN2O
Molecular Mass: 144.559
Monoisotopic Mass: 144.00904047
SMILES and InChIs

SMILES:
n1c(c(ccc1Cl)O)N
Canonical SMILES:
Clc1ccc(c(n1)N)O
InChI:
InChI=1S/C5H5ClN2O/c6-4-2-1-3(9)5(7)8-4/h1-2,9H,(H2,7,8)
InChIKey:
QINLAVASMOFTPB-UHFFFAOYSA-N

Cite this record

CBID:814091 http://www.chembase.cn/molecule-814091.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-6-chloropyridin-3-ol
IUPAC Traditional name
2-amino-6-chloropyridin-3-ol
Synonyms
2-amino-6-chloropyridin-3-ol
CAS Number
159309-66-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36233 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36233 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.178719  H Acceptors
H Donor LogD (pH = 5.5) 1.0405893 
LogD (pH = 7.4) 1.0346956  Log P 1.0417615 
Molar Refractivity 36.762 cm3 Polarizability 13.174689 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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