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5667-38-9 molecular structure
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3-amino-5-nitropyridin-2-ol

ChemBase ID: 804000
Molecular Formular: C5H5N3O3
Molecular Mass: 155.1115
Monoisotopic Mass: 155.03309104
SMILES and InChIs

SMILES:
n1c(c(cc(c1)[N+](=O)[O-])N)O
Canonical SMILES:
[O-][N+](=O)c1cnc(c(c1)N)O
InChI:
InChI=1S/C5H5N3O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,6H2,(H,7,9)
InChIKey:
WUMXEXOQVKMRQX-UHFFFAOYSA-N

Cite this record

CBID:804000 http://www.chembase.cn/molecule-804000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-5-nitropyridin-2-ol
IUPAC Traditional name
3-amino-5-nitropyridin-2-ol
Synonyms
3-AMINO-2-HYDROXY-5-NITROPYRIDINE
CAS Number
5667-38-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20768 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20768 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.905387  H Acceptors
H Donor LogD (pH = 5.5) 0.15750696 
LogD (pH = 7.4) 0.1561859  Log P 0.15752383 
Molar Refractivity 37.2164 cm3 Polarizability 13.221175 Å3
Polar Surface Area 102.28 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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